Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T39523 | Target Info | |||
| Target Name | Phosphodiesterase 7A (PDE7A) | ||||
| Synonyms |
TM22; High affinity cAMPspecific 3',5'cyclic phosphodiesterase 7A; High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
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|
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| Target Type | Discontinued Target | ||||
| Gene Name | PDE7A | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 32 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
AC1MOZOL
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|
Patented | Compound Info | ||
| Synonyms |
686770-82-1; AC1MOZOL; CHEMBL3919432; SCHEMBL16200742; BDBM86644; AKOS024584761; MCULE-1812319467; BC11-38-2; EU-0022203; SR-01000120183; SR-01000120183-1; F0579-0063; 2-(sec-butylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one; 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
BC11-28
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Patented | Compound Info | ||
| Synonyms |
BDBM86641; 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine; AC1MM8WN; Oprea1_524381; CHEMBL2132713; SCHEMBL14998917; BDBM60812; HMS1911I05; ZINC2713985; STK859438; AKOS002104616; MCULE-7713625102; BC11-28; NCGC00138975-01; ST50069829; EU-0095146; US9173884, BC11-28; SR-01000567887; SR-01000567887-1; K405-0344; 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine; [7-(4-fluorophenyl)-5-phenylpyrrolo[3,2-e]pyrimidin-4-yl](2-methylphenyl)amine
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
AC1M1SP5
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Patented | Compound Info | ||
| Synonyms |
3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one; 850915-31-0; AC1M1SP5; SCHEMBL16200721; CHEMBL3913943; BDBM86646; ZINC2719834; AKOS024584906; MCULE-4663000139; BC11-38-4; SR-01000120201; SR-01000120201-1; F0579-0260; 3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
isobutylmethylxanthine
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|
Investigative | Compound Info | ||
| Synonyms |
3-Isobutyl-1-methylxanthine; IBMX; 28822-58-4; 1-METHYL-3-ISOBUTYLXANTHINE; Methylisobutylxanthine; 3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione; Xanthine, 3-isobutyl-1-methyl-; 3-Isobutyl-1-methyxanthine; 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-; Methyl-isobutylxanthine; 3-isobutyl-1-methylxanthine (ibmx); UNII-TBT296U68M; 3-Isobutyl 1-methylxanthine; NSC 165960; CCRIS 4290; CHEBI:34795; 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione; 3-isobutyl-1-methyl-7H-xanthine; methylisobutylxanthine; 3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione; 3-ISOBUTYL-1-METHYLXANTHINE
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|
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| Activity |
IC50 = 85600 nM
|
[2] | |||
| Compound Name |
1-[4-Methoxy-3-(tetrahydropyran-4-yloxy)phenyl]butan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL456368; BDBM50273333
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|
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
4-[3-Methoxy-4-(pyridin-2-yloxy)phenyl]-4-quinolin-3-ylbutan-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL457216; BDBM50273601
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|
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
1-[4-(Difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-3-methylbutan-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL458298; 1-(4-(difluoromethoxy)-3-((tetrahydrofuran-3-yl)oxy)phenyl)-3-methylbutan-1-one; Roflupram; Zl-n-91; Roflupram, >=98% (HPLC); GTPL10691; BDBM50273512; 1-[4-Difluoromethoxy-3-(tetrahydrofuran-3-yloxy)phenyl]-3-methylbutan-1-one
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|
||||
| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
(2R)-2-[[1-(2-Chlorophenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N-(4-methoxyphenyl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360412; BDBM50034647
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|
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| Activity |
IC50 = 51200 nM
|
[4] | |||
| Compound Name |
Chembl4217007
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457950
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|
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| Activity |
IC50 = 52800 nM
|
[5] | |||
| Compound Name |
Chembl4290996
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467437
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|
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| Activity |
IC50 = 54280 nM
|
[2] | |||
| Compound Name |
Chembl4203545
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457964
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|
||||
| Activity |
IC50 = 56100 nM
|
[5] | |||
| Compound Name |
Chembl4205157
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457954
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|
||||
| Activity |
IC50 = 69800 nM
|
[5] | |||
| Compound Name |
4-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)-2-methylbutan-2-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1221434; BDBM50325786; NCGC00249759; NCGC00249759-01; NCGC00249759-02
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|
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| Activity |
IC50 ~ 75000 nM
|
[6] | |||
| Compound Name |
Chembl4204397
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457948
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|
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| Activity |
IC50 = 89300 nM
|
[5] | |||
| Compound Name |
Chembl4209377
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457962
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|
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| Activity |
IC50 = 92900 nM
|
[5] | |||
| Compound Name |
Chembl4288977
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467428
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|
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| Activity |
IC50 = 96320 nM
|
[2] | |||
| Compound Name |
N-(4-Methoxybenzyl)-3-(cyclopentyloxy)-4-(difluoromethoxy)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628685; BDBM50129817
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2S)-2-[[1-(2-Chlorophenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N-(4-methoxyphenyl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360413; BDBM50034649
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
N-(2-Chlorophenyl)-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3883753; BDBM50208310
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
Chembl4206423
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50455384
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
Chembl4215772
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50455383
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
3-(Cyclopropylmethoxy)-4-(difluoromethoxy)-N-pyridin-3-ylbenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3884224; BDBM50208315
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-(Butylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3955950; SCHEMBL16200699; BDBM86643; ZINC2719706; AKOS024584760; MCULE-1273250191; BC11-38-1; EU-0022193; SR-01000120181; SR-01000120181-1; F0579-0062
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3-Phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM86640; Maybridge4_000373; Oprea1_392751; CHEMBL3974407; SCHEMBL14998934; BDBM60808; HMS1522A21; ZINC134330; CCG-51916; BC11-19; MCULE-1137806289; IDI1_030955; NCGC00177650-01; US9173884, BC11-19; SR-01000641186-1; BRD-K04557143-001-01-6
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-[[1-(2-Chlorophenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N-(4-methoxyphenyl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178115; SCHEMBL16981747; BDBM50398649
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916113; 3sn7; SCHEMBL973300; BDBM50357803; Q27455453
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
3-Cyclopentyloxy-4-(difluoromethoxy)-N-pyridin-3-ylbenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3885161; BDBM50208311
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
N-(2-Chlorophenyl)-3(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3884788; BDBM50208314
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
Chembl4217546
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457942
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|
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| Activity |
IC50 = 115900 nM
|
[5] | |||
| Compound Name |
5-Chloro-2-(2-nitro-phenylsulfanyl)-aniline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359653; BDBM50028891
Click to Show/Hide
|
||||
| Activity |
IC50 = 124000 nM
|
[12] | |||
| Compound Name |
Chembl4214256
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457966
Click to Show/Hide
|
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| Activity |
IC50 = 140900 nM
|
[5] | |||
| Compound Name |
Click to Show/Hide
|
Compound Info | |||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 22 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
ROLIPRAM
Click to Show/Hide
|
Phase 2 | Compound Info | ||
| Synonyms |
61413-54-5; ZK 62711; Rolipramum; Rolipramum [Latin]; 4-[3-(Cyclopentyloxy)-4-methoxyphenyl]-2-pyrrolidinone; Adeo; Rolipram [USAN:INN]; 4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one; 4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one; 4-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-pyrrolidinone; (R,S)-rolipram; ZK-62711; CHEMBL63; EINECS 262-771-1; BRN 1588548; MLS000069691; CHEBI:104872; HJORMJIFDVBMOB-UHFFFAOYSA-N; 4-(3-Cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone; [3H]rolipram
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
PMID28870136-Compound-48
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Patented | Compound Info | ||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
HC-030031
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Investigative | Compound Info | ||
| Synonyms |
TRPA1 inhibitor (pain/inflammation), Hydra Biosciences/Cubist Pharmaceuticals
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|
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4284046
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467434
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|
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4294138
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Investigative | Compound Info | ||
| Synonyms |
BDBM50467440
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|
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4276743
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467430
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|
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4290575
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Investigative | Compound Info | ||
| Synonyms |
BDBM50467438
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|
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4290979
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467433
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|
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4216676
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457946
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|
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| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
Chembl4294370
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467422
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|
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4214541
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Investigative | Compound Info | ||
| Synonyms |
BDBM50457960
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|
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| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
Chembl4213058
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Investigative | Compound Info | ||
| Synonyms |
BDBM50457944
Click to Show/Hide
|
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| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
Chembl4280678
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Investigative | Compound Info | ||
| Synonyms |
BDBM50467431
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|
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4279233
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
BDBM50467442
Click to Show/Hide
|
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4207716
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457963
Click to Show/Hide
|
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| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
Chembl4290814
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Investigative | Compound Info | ||
| Synonyms |
BDBM50467441
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4280173
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467426
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4214592
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457959
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
Chembl4218669
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457956
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
Chembl4283794
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467429
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4287403
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467424
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
Chembl4287148
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467425
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | US patent application no. 9173884B2, Inhibitors of phosphodiesterase 11 (PDE11) | ||||
| REF 2 | Novel amide derivatives of 1,3-dimethyl-2,6-dioxopurin-7-yl-alkylcarboxylic acids as multifunctional TRPA1 antagonists and PDE4/7 inhibitors: A new approach for the treatment of pain. Eur J Med Chem. 2018 Oct 5;158:517-533. | ||||
| REF 3 | Design, synthesis, and structure-activity relationship, molecular modeling, and NMR studies of a series of phenyl alkyl ketones as highly potent and selective phosphodiesterase-4 inhibitors. J Med Chem. 2008 Dec 25;51(24):7673-88. | ||||
| REF 4 | Discovery of a phosphodiesterase 9A inhibitor as a potential hypoglycemic agent. J Med Chem. 2014 Dec 26;57(24):10304-13. | ||||
| REF 5 | Novel butanehydrazide derivatives of purine-2,6-dione as dual PDE4/7 inhibitors with potential anti-inflammatory activity: Design, synthesis and biological evaluation. Eur J Med Chem. 2018 Feb 25;146:381-394. | ||||
| REF 6 | The discovery and synthesis of highly potent subtype selective phosphodiesterase 4D inhibitors. Bioorg Med Chem Lett. 2010 Sep 15;20(18):5502-5. | ||||
| REF 7 | Catecholic amides as potential selective phosphodiesterase 4D inhibitors: Design, synthesis, pharmacological evaluation and structure-activity relationships. Bioorg Med Chem. 2015 Nov 15;23(22):7332-9. | ||||
| REF 8 | Development of highly potent phosphodiesterase 4 inhibitors with anti-neuroinflammation potential: Design, synthesis, and structure-activity relationship study of catecholamides bearing aromatic rings. Eur J Med Chem. 2016 Nov 29;124:372-379. | ||||
| REF 9 | Structure-based design and structure-activity relationships of 1,2,3,4-tetrahydroisoquinoline derivatives as potential PDE4 inhibitors. Bioorg Med Chem Lett. 2018 Apr 15;28(7):1188-1193. | ||||
| REF 10 | Structure-based discovery of highly selective phosphodiesterase-9A inhibitors and implications for inhibitor design. J Med Chem. 2012 Oct 11;55(19):8549-58. | ||||
| REF 11 | Highly potent, selective, and orally active phosphodiesterase 10A inhibitors. J Med Chem. 2011 Nov 10;54(21):7621-38. | ||||
| REF 12 | Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. J Med Chem. 2014 Oct 23;57(20):8590-607. | ||||
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