Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T20178 | Target Info | |||
| Target Name | Tumor necrosis factor (TNF) | ||||
| Synonyms |
Tumour necrosis factor alpha; Tumour necrosis factor; Tumor necrosis factor ligand superfamily member 2; TNFalpha; TNFSF2; TNFA; TNF-alpha; TNF-a; TNF alpha; Cachectin
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|
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| Target Type | Successful Target | ||||
| Gene Name | TNF | ||||
| Biochemical Class | Cytokine: tumor necrosis factor | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 40 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
PMID28870136-Compound-49
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|
Patented | Compound Info | ||
| Activity |
IC50 = 85000 nM
|
[1] | |||
| Compound Name |
Ro 20-1724
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|
Terminated | Compound Info | ||
| Synonyms |
4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone; RO 20-1724; 29925-17-5; 4-(3-Butoxy-4-methoxybenzyl)imidazolidin-2-one; ro-20-1724; Ro 201724; CHEMBL18701; 4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one; 2-Imidazolidinone, 4-((3-butoxy-4-methoxyphenyl)methyl)-; RO-201724; 2-Imidazolidinone, 4-((3-butoxy-4-methoxyphenyl)methyl)-, (+-)-; 4-(3-butoxy-4-methoxy-benzyl)imidazolidin-2-one; 34185-37-0; 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone; SR-01000075647; keratan sulfate I; Keratan sulphate I; Naphthoquinone analogs
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
2-(4-Bromoanilino)-6,7-dimethoxy-4-oxo-3,4-dihydroquinazoline-3-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL127154; BDBM50081318; 4-[2-(4-Bromo-phenylamino)-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl]-butyric acid ethyl ester
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
1-Hexyl-8-hydroxy-3-methyl-3,7,8,9-tetrahydro-purine-2,6-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL423609; BDBM50048940
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|
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
Methyl 4-[3-(3-chlorophenyl)-7-methoxy-2,4-dioxopyrimido[5,4-c]quinolin-1-yl]piperidine-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL2016872; CHEMBL3952042
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|
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| Activity |
IC50 = 50000 nM
|
[3] | |||
| Compound Name |
6,7-Dimethoxy-1-oxo-1,2-dihydroisoquinoline-2-propionic acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL127466; BDBM50081362; 3-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-propionic acid ethyl ester
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
2-(4-Azidoanilino)-6,7-dimethoxy-4-oxo-3,4-dihydroquinazoline-3-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL341012; BDBM50081338; 4-[2-(4-Azido-phenylamino)-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl]-butyric acid ethyl ester
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-naphthalen-2-yl-propionamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL323009; SCHEMBL6697290; BDBM50052609; 3-(2-Naphthyl)-3-phthalimidylpropanamide; 3-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanamide
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| Activity |
IC50 = 51000 nM
|
[4] | |||
| Compound Name |
4-(4-Bromo-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL125674; BDBM50081348
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|
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| Activity |
IC50 = 51000 nM
|
[2] | |||
| Compound Name |
3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-N-ethyl-propionamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL111503; SCHEMBL6690713; BDBM50052610; 3-phthalimido-3-(3,4-dimethoxyphenyl)propionic ethyl-amide; 3-phthalimido-3-(3,4-dimethoxyphenyl)propionic ethylamide; 3-Phthalimidyl-3-(3,4-dimethoxyphenyl)-N-ethylpropanamide; 3-phthalimido-3-(3',4'-dimethoxyphenyl)propionic ethylamide; 3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide
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|
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| Activity |
IC50 = 53000 nM
|
[4] | |||
| Compound Name |
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(3,4-dipropoxy-phenyl)-propionamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL110949; BDBM50052607; 3-(3,4-Dipropoxyphenyl)-3-phthalimidylpropanamide
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|
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| Activity |
IC50 = 55000 nM
|
[4] | |||
| Compound Name |
1-Methyl-2,4-dioxo-1,4-dihydroquinazoline-3(2H)-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL174253; SCHEMBL7164129; BDBM50048939; ethyl 4-(1-methyl-2,4-dioxoquinazolin-3-yl)butanoate; 4-(1-Methyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-butyric acid ethyl ester
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|
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| Activity |
IC50 = 55000 nM
|
[1] | |||
| Compound Name |
2-(6,7-Dimethoxy-isoquinolin-1-ylamino)-ethanol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL127990; BDBM50081313; ZINC13800949
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|
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| Activity |
IC50 = 55000 nM
|
[2] | |||
| Compound Name |
N-[2-[(6,7-Dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3742137
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|
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
N-Methyl-N-(2-((1-phenylsulfonyl-1H-indole-3-ylcarbonyl)(methyl)amino)ethyl)-4-oxo-4H-1-benzopyran-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3741720; J3.530.070H
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
3-(3,4-Dimethoxyphenyl)-3-phthalimidopropanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL109316; Oprea1_483608; Oprea1_856674; SCHEMBL3121844; 3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoic Acid; BDBM50052618; AKOS002320126; ST50759040; 3-phthalimido-3-(3,4'-dimethoxyphenyl)propionic acid; 3-phthalimido-3-(3,4-dimethoxyphenyl)propionic acid; 3-Phthalimidyl-3-(3,4-dimethoxyphenyl)propanoic acid; 3-phthalimido-3-(3',4'-dimethoxyphenyl)propionic acid; 3-(3,4-dimethoxyphenyl)-3-(1,3-dioxobenzo[c]azolidin-2-yl)propanoic acid; 3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindolin-2-yl)propanoic acid; 3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionic acid
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|
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| Activity |
IC50 = 60000 nM
|
[4] | |||
| Compound Name |
4-(8-Bromo-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL169795; BDBM50048921
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|
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| Activity |
IC50 = 60000 nM
|
[1] | |||
| Compound Name |
3-(1,3-Dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL111973; SCHEMBL6688763; BDBM50052603; 3-(4-Methoxyphenyl)-3-phthalimidylpropanamide; 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(4-methoxy-phenyl)-propionamide
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|
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| Activity |
IC50 = 62000 nM
|
[4] | |||
| Compound Name |
3-(3,4-Dimethoxy-phenyl)-3-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionic acid methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL327083; BDBM50052604; 3-(7-Nitrophthalimidyl)-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester
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|
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| Activity |
IC50 = 64000 nM
|
[4] | |||
| Compound Name |
4-(2-Chloro-6,7-dimethoxyquinazoline-4-yloxy)butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL414243; BDBM50081336; 4-(2-Chloro-6,7-dimethoxy-quinazolin-4-yloxy)-butyric acid ethyl ester
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|
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| Activity |
IC50 = 68000 nM
|
[2] | |||
| Compound Name |
3-(3,4-Dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL320347; SCHEMBL6688327; BDBM50052616; 3-(3,4-Dichlorophenyl)-3-phthalimidylpropanamide; 3-phthaiimido-3-(3,4-dichlorophenyl)propionamide; 3-phthalimido-3-(3,4-dichlorophenyl)propionamide; 3-phthalimido-3-(3',4'-dichlorophenyl)propionamide; 3-(3,4-Dichloro-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionamide
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|
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| Activity |
IC50 = 70000 nM
|
[4] | |||
| Compound Name |
6-Heptyl-4-methyl-4H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL174254; BDBM50048927
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|
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| Activity |
IC50 = 75000 nM
|
[1] | |||
| Compound Name |
N-Benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL109264; SCHEMBL6691276; BDBM50052598; 3-Phthalimidyl-3-(3,4-dimethoxyphenyl)-N-benzylpropanamide; 3-phthalimido-3-(3',4'-dimethoxyphenyl)propionic benzylamide; N-Benzyl-3-(3,4-dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionamide
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|
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| Activity |
IC50 = 84000 nM
|
[4] | |||
| Compound Name |
3-(3-Cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL321032; SCHEMBL6690089; BDBM50052597; 3-(3-Cyanophenyl)-3-phthalimidylpropanamide; 3-(3-Cyano-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionamide
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|
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| Activity |
IC50 = 89000 nM
|
[4] | |||
| Compound Name |
4-(4,5-Difluoro-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL125687; BDBM50081356
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-(4-Bromo-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-N-methyl-butyramide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL128952; BDBM50081350
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-N-methyl-butyramide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL124456; BDBM50081311
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
5-(Acetylamino)-6,7-dimethoxy-4-oxo-3,4-dihydroquinazoline-3-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL127280; BDBM50081315; 4-(5-Acetylamino-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-butyric acid ethyl ester
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-(8-Mercapto-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL170855; BDBM50048945
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|
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
6,7-Dimethoxy-N-phenylisoquinolin-1-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL334207; ZINC1759864; BDBM50081349; N-Phenyl-6,7-dimethoxyisoquinoline-1-amine; (6,7-Dimethoxy-isoquinolin-1-yl)-phenyl-amine
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-(3-Chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3314616; Oprea1_100876; Oprea1_701076; ZINC442994; BDBM50047362; AKOS001047368; MCULE-7420462718; AQ-390/42425629
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(3,5-Dichloro-4-hydroxyphenyl)(2-naphthylsulfonyl)amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3356478; Oprea1_035788; Oprea1_801260; SCHEMBL16187975; ZINC879753; BDBM50100517; AKOS001056956; MCULE-4951899824; ST042117; Z56919060; N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
6,7-Dimethoxy-1-oxo-1,2-dihydroisoquinoline-2-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL126912; SCHEMBL6189205; BDBM50081337; 4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(5S)-5-[2-[4-[(4-Cyclohexylpiperazin-1-yl)methyl]phenyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3640350; SCHEMBL10131405; BDBM102678; US8541572, 342
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|
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| Activity |
IC50 = 100001 nM
|
[7] | |||
| Compound Name |
(5S)-5-[(5-Iodo-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione
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|
Investigative | Compound Info | ||
| Synonyms |
US8541572, 291; CHEMBL3640302; SCHEMBL15267855; BDBM102627; BDBM102628; US8541572, 290
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| Activity |
IC50 = 100001 nM
|
[7] | |||
| Compound Name |
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-methoxy-phenyl)-propionamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL111637; BDBM50052601; 3-(3-Methoxyphenyl)-3-phthalimidylpropanamide
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| Activity |
IC50 = 120000 nM
|
[4] | |||
| Compound Name |
4-(6,7-Diethyl-1-methyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-yl)-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL171272; BDBM50048922
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|
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| Activity |
IC50 = 130000 nM
|
[1] | |||
| Compound Name |
3-(4-Cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL110972; SCHEMBL6693048; BDBM50052614; 3-(4-Cyanophenyl)-3-phthalimidylpropanamide; 3-(4-Cyano-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionamide
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| Activity |
IC50 = 150000 nM
|
[4] | |||
| Compound Name |
4-(1-Benzyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-yl)-butyric acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL170395; BDBM50048934
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|
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| Activity |
IC50 = 175000 nM
|
[1] | |||
| Compound Name |
(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetic acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL354675; Oprea1_704062; Oprea1_826693; ZINC40449; BDBM50048941; AKOS000576185; 1-(Ethoxycarbonylmethyl)-3,7-dimethylxanthine; SR-01000397307; SR-01000397307-1; ethyl (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydropurin-1-yl)acetate
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| Activity |
IC50 = 200000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 18 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
1-(3-Carboxypropyl)-3,7-dimethylxanthine
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Investigative | Compound Info | ||
| Synonyms |
1-(3-Carboxypropyl)theobromine; 1-(3'-Carboxypropyl)-3,7-dimethylxanthine; 4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butanoic acid; UNII-B88HVM1NMZ; B88HVM1NMZ; CHEMBL1343; 4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)butanoic acid; 1-[4-CARBOXYPROPYL]-3,7-DIMETHYLXANTHINE (METABOLITE-V); CP Dmx II; 1-(3'-Carboxypropyl)-3,7-dimethylxanthin; Acid metabolite, Pentoxifylline; SCHEMBL5420399; CTK2F4238; DTXSID40215232; ZINC5116754; BDBM50048936; MFCD08063778; AS-6131; FT-0664358; 4-(3,7-dimethyl-2,6-dioxo-purin-1-yl)butanoic acid; Q27274497; 1-(3-Carboxypropyl)-3,7-dimethylxanthine, analytical standard; 3,7-Dimethyl-2,6-dioxo-3,7-dihydro-1H-purine-1-butanoic acid; 1H-Purine-1-butanoic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-; 4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-butyric acid
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
3-Methyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL171452; 8-mercapto-3-methylxanthine; SCHEMBL6189307; SCHEMBL10309249; 1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-3-methyl-8-thioxo-; BDBM50048926; 8-Mercapto-3-methyl-3,7-dihydro-purine-2,6-dione
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
4-(1-Methyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-yl)-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL169882; BDBM50048944
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|
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
4-(2,4-Dioxo-1-propyl-1,4-dihydro-2H-pteridin-3-yl)-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL172224; BDBM50048947
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|
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
4-(8-Bromo-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-ylmethyl)-benzoic acid methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL170259; BDBM50048930
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|
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-ylmethyl)-benzoic acid methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL354263; SCHEMBL17682271; BDBM50048937; methyl 4-[(3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]benzoate
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| Activity |
IC50 > 200000 nM
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[1] | |||
| Compound Name |
4-(1-Methyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-butyric acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL368515; BDBM50048923
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| Activity |
IC50 > 200000 nM
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[1] | |||
| Compound Name |
4-(1-Methyl-2,4-dioxo-6-phenyl-1,4-dihydro-2H-pteridin-3-yl)-butyric acid ethyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL172619; BDBM50048949
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
4-(8-Mercapto-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-ylmethyl)-benzoic acid ethyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL170267; BDBM50048950
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
4-(4-Methyl-5,7-dioxo-4,5-dihydro-7H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-6-yl)-butyric acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL355433; BDBM50048946
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
3-(1,3-Dioxoisoindol-2-yl)-3-phenylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL320567; 3-(1,3-Dioxoisoindolin-2-yl)-3-phenylpropanamide; CC 1088; Oprea1_650068; SCHEMBL6694358; DTXSID80963649; 3-Phenyl-3-phthalimidylpropanamide; BDBM50052620; AKOS002319830; CC-1018; ST50759018; 3-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanamide; 3-(1,3-dioxobenzo[c]azolin-2-yl)-3-phenylpropanamide; 1,3-Dihydro-1,3-dioxo-beta-phenyl-2H-isoindole-2-propanamide; 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-phenyl-propionamide; 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanimidic acid
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| Activity |
IC50 = 260000 nM
|
[4] | |||
| Compound Name |
(5R)-5-[(5-Methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[4-(6-thiomorpholin-4-ylpyridin-2-yl)phenyl]phenyl]ethynyl]imidazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3640365; SCHEMBL10131143; BDBM102693; US8541572, 357
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||||
| Activity |
IC50 = 1000001 nM
|
[7] | |||
| Compound Name |
(5R)-5-[(5-Methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(6-thiomorpholin-4-ylpyridin-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3640363; SCHEMBL10131435; BDBM102691; US8541572, 355
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| Activity |
IC50 = 1000001 nM
|
[7] | |||
| Compound Name |
3-[5-Methoxy-6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridin-2-yl]benzonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3640425; SCHEMBL10131152; BDBM102755; US8541572, 419
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| Activity |
IC50 = 1000001 nM
|
[7] | |||
| Compound Name |
(5S)-5-[[5-(1-Methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3640303; SCHEMBL15267888; BDBM102629; US8541572, 292
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| Activity |
IC50 = 10000001 nM
|
[7] | |||
| Compound Name |
(5R)-5-[[5-(1-Methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3639391; SCHEMBL10112195; BDBM102630; US8541572, 293
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| Activity |
IC50 = 10000001 nM
|
[7] | |||
| Compound Name |
5-[5-Methoxy-6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridin-2-yl]pyridine-2-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3642427; SCHEMBL10131141; BDBM102768; US8541572, 432
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| Activity |
IC50 = 10000001 nM
|
[7] | |||
| Compound Name |
Mesalamine
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Investigative | Compound Info | ||
| Synonyms |
5-Aminosalicylic acid; Mesalazine; 5-Amino-2-hydroxybenzoic acid; Asacol; Pentasa; Claversal; Canasa; 5-ASA; Salofalk; Rowasa; m-Aminosalicylic acid; Mesasal; Lialda; Benzoic acid, 5-amino-2-hydroxy-; Fisalamine; Lixacol; Apriso; p-Aminosalicylsaeure; Asacolitin; Mesalazina; Mesalazinum; sfRowasa; 5-amino-2-hydroxy-benzoic acid; Asacol HD; 5-Amino Salicylic Acid; SALICYLIC ACID, 5-AMINO-; MFCD00007877; 2-Hydroxy-5-aminobenzoic acid; 3-carboxy-4-hydroxyaniline; UNII-4Q81I59GXC; NSC 38877; MAX-002; MLS001424012; 4Q81I59GXC; NSC-38877; NCGC00016344-03; Mesalazinum [Latin]; SMR000145728; DSSTox_CID_4506; DSSTox_RID_77435; DSSTox_GSID_24506; 5-Aminosalicylic acid, 99%; Mesalazina [Spanish]; p-Aminosalicylsaeure [German]; Mesavancol; Delzicol; Mesavance; Mezavant; Iialda; Mesalazine MMX; Mezavant XL; Mesalamine (USP); Pentasa (TN); 5-Aminosalicylicacid; Salofalk Granu-Stix; Apriso (TN); Asacol (TN); Canasa (TN); Lialda (TN); Rowasa (TN); CCRIS 7334; SR-01000763486; Mesalamine [USAN:USP]; EINECS 201-919-1; BRN 2090421; AI3-15564; 5-Aminosalicylic Acid, Purified; HSDB 7512; AJG-501; SPD 476; SPD-476; SPD-480; Mesalamine (TN); Delzicol (TN); Sfrowasa (TN); Mesalazine [INN]; mesalamine (USAN); Mesalamine (Lialda); 5-aminosalicylic_acid; MD-0901; 5-Aminosalicyclic acid; 5-amino-salicylic acid; PubChem17623; Mesalazine; ACMC-1BKFR; Prestwick0_001069; Prestwick1_001069; Prestwick2_001069; Prestwick3_001069; WLN: ZR DQ CVQ; Z-206; CHEMBL704; Mesalazine (JP17/INN); EC 201-919-1; cid_4075; Oprea1_847633; SCHEMBL31297; 3amino-6-hydroxybenzoic acid; BSPBio_001058; KBioGR_002425; KBioSS_002431; 4-14-00-02058 (Beilstein Handbook Reference); KSC448C0L; MLS000758287; 5-Aminosalicylic acid, 95%; 5-Aminosalicylic acid, tablet; ARONIS23914; BIDD:GT0811; 3-amino-6-hydroxybenzoic acid; SPBio_002969; BPBio1_001164; GTPL2700; ZINC1688; 5-Amino 2-hydroxy benzoic acid; DTXSID5024506; SCHEMBL18038934; 5-Aminosalicylic acid, >=99%; BDBM60918; CTK3E8105; KBio2_002425; KBio2_004993; KBio2_007561; KBio3_002904; cMAP_000045; HMS1571E20; HMS2051M21; HMS2090I09; HMS2098E20; HMS3393M21; HMS3649K15; HMS3651M15; HMS3715E20; Pharmakon1600-01505993; BCP05326; KS-00000CC5; KS-000048PQ; NSC38877; Tox21_110384; Tox21_201610; Tox21_303125; 5-?Aminosalicylic Acid (Mesalazine); ANW-39326; BBL013046; NSC759301; s1681; SBB052617; STK301678; AKOS000118959; Tox21_110384_1; AC-2764; BCP9000175; CCG-100829; DB00244; HS-0100; LS11426; MCULE-5752745805; NC00079; NSC-759301; NCGC00016344-01; NCGC00016344-02; NCGC00016344-04; NCGC00016344-05; NCGC00016344-07; NCGC00090934-01; NCGC00090934-02; NCGC00257142-01; NCGC00259159-01; 5-amino-2-hydroxobenzoic acid monohydrate; AK-72925; BP-13074; BR-72925; HY-15027; SC-15695; SY002854; 5-Aminosalicylic acid, analytical standard; ST4109571; A0317; AB00374979; AM20060091; FT-0619950; SW197303-4; 1764-EP2272825A2; 1764-EP2275420A1; C07138; D00377; M-7246; 24215-EP2289518A1; 24215-EP2295053A1; 24215-EP2295409A1; 24215-EP2314574A1; 24215-EP2314590A1; 90701-EP2371811A2; AB00374979-09; AB00374979-10; AB00374979_11; AB00374979_12; Q412479; Q-201355; SR-01000763486-3; SR-01000763486-4; SR-01000763486-9; Z57127471; F1918-0003
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| Activity |
IC50 = 20600000 nM
|
[8] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
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| REF 1 | Substituted xanthines, pteridinediones, and related compounds as potential antiinflammatory agents. Synthesis and biological evaluation of inhibitors of tumor necrosis factor alpha. J Med Chem. 1996 Jan 5;39(1):2-9. | ||||
| REF 2 | Substituted isoquinolines and quinazolines as potential antiinflammatory agents. Synthesis and biological evaluation of inhibitors of tumor necrosis factor alpha. J Med Chem. 1999 Sep 23;42(19):3860-73. | ||||
| REF 3 | US patent application no. 9393245B2, Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors | ||||
| REF 4 | Structural modifications of thalidomide produce analogs with enhanced tumor necrosis factor inhibitory activity. J Med Chem. 1996 Aug 16;39(17):3238-40. | ||||
| REF 5 | Synthesis and biological evaluation of potential small molecule inhibitors of tumor necrosis factor. Medchemcomm. 2015;6:1196-209. | ||||
| REF 6 | Discovery of highly potent TNFalpha inhibitors using virtual screen. Eur J Med Chem. 2014 Oct 6;85:119-26. | ||||
| REF 7 | US patent application no. 8541572B2, Compounds for the treatment of inflammatory disorders | ||||
| REF 8 | Synthesis and biological evaluation of pyridine-linked indanone derivatives: Potential agents for inflammatory bowel disease. Bioorg Med Chem Lett. 2018 Aug 1;28(14):2436-2441. | ||||
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