Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T25608 | Target Info | |||
| Target Name | Free fatty acid receptor 1 (GPR40) | ||||
| Synonyms |
Gprotein coupled receptor 40; FFAR1
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| Target Type | Clinical trial Target | ||||
| Gene Name | FFAR1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 36 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
TUG-891
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Investigative | Compound Info | ||
| Synonyms |
TUG 891; TUG891
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| Activity |
EC50 = 52600 nM
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[1] | |||
| Compound Name |
12-hydroxylauric acid
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Investigative | Compound Info | ||
| Synonyms |
12-Hydroxydodecanoic acid; 505-95-3; 12-hydroxylauric acid; 12-hydroxy-dodecanoic acid; Dodecanoic acid, 12-hydroxy-; omega-Hydroxydodecanoic acid; 12-hydroxy lauric acid; Dodecanoic acid,12-hydroxy-; CHEBI:39567; ZDHCZVWCTKTBRY-UHFFFAOYSA-N; NSC664211; AK-51216; omega-hydroxydodecanoate; J-504146; 12H; Sabinic acid; EINECS 208-025-0; omega-OH lauric acid; NSC 159293; NSC 664211; omega hydroxy dodecanoate; omega-OH dodecanoic acid; AC1L2WIA; omega-hydroxy lauric acid; AC1Q7CPY; ACMC-209x3w; 12-hydroxy dodecanoic acid; omega-hydroxy d
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| Activity |
EC50 ~ 100000 nM
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[2] | |||
| Compound Name |
3-hydroxylauric acid
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Investigative | Compound Info | ||
| Synonyms |
3-hydroxy lauric acid
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| Activity |
EC50 ~ 100000 nM
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[2] | |||
| Compound Name |
Chembl4292184
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Investigative | Compound Info | ||
| Synonyms |
BDBM50466496
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| Activity |
EC50 ~ 50000 nM
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[3] | |||
| Compound Name |
4-Methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
GSK137647A; GSK 137647; GSK-137647A; N-mesityl-4-methoxybenzenesulfonamide; CHEMBL3311308; MFCD02007969; 4-methoxy-N-(2,4,6-trimethylphenyl)-benzenesulfonamide; CBMicro_012617; Oprea1_349531; Oprea1_545891; SCHEMBL19357604; KS-00000TIW; AOB2991; ZINC184126; BCP17136; EX-A1097; GSK 137647A; SMSF0014079; BDBM50044849; STK899558; AKOS003261220; CB15818; CS-5549; GSK-137647; MCULE-5583867808; N-mesityl-4-methoxy-1-benzenesulfonamide; NCGC00387253-02; NCGC00387253-05; AK240703; AS-16737; HY-19995; BIM-0012523.P001; FFA4 (GPR120) agonist GSK137647A; B7793; EU-0076636; FT-0700296; S0001; ST50719559; GSK137647A, >=98% (HPLC); A14542; AJ-292/14925630; SR-01000478738; J-690285; SR-01000478738-1; [(4-methoxyphenyl)sulfonyl](2,4,6-trimethylphenyl)amine; 4-methoxy-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide; 4-Methoxy-N-(2,4,6-triMethylphenyl)benzenesulfonaMide, 97%
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| Activity |
EC50 ~ 50118.72 nM
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[4] | |||
| Compound Name |
4-Methyl-N-(9H-xanthen-9-yl)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
AH-7614; 4-Methyl-N-(9H-xanthen-9-yl)-benzenesulfonamide; AH 7614; CHEMBL3311302; 4-Methyl-N-9H-xanthen-9-yl-benzenesulfonamide; p-Toluenesulfonamide, N-(xanthen-9-yl)-; N-Tosyl-9H-xanthene-9-amine; NSC31171; ChemDiv3_003436; Oprea1_006107; Oprea1_382032; N-xanthyl-p-toluenesulfonamide; 4-methyl-N-(9H-xanthen-9-yl)benzene-1-sulfonamide; SCHEMBL19260836; DTXSID40979307; HMS1482M04; ZINC626613; BDBM50044874; NSC-31171; STK325647; AKOS001663516; CCG-111864; MCULE-9692010752; IDI1_021346; ST4034127; [(4-methylphenyl)sulfonyl]xanthen-9-ylamine; B7792; AH-7614, >=98% (HPLC); Benzenesulfonamide, 4-methyl-N-(xanthen-9-yl)-; SR-01000492283; 4-Methyl-N-(9H-xanthen-9-yl)benzenesulfonamide #; SR-01000492283-1; BRD-K10852420-001-01-7
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| Activity |
EC50 ~ 50118.72 nM
|
[4] | |||
| Compound Name |
(3S)-3-[4-[[3-(2-Chlorophenyl)phenyl]methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3752274; BDBM50138172
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| Activity |
EC50 = 56000 nM
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[5] | |||
| Compound Name |
(3S)-3-(1-Methylimidazol-2-yl)-3-[4-[[3-[2-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3754173; BDBM50138174
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| Activity |
EC50 = 61000 nM
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[5] | |||
| Compound Name |
(3S)-3-[4-[[3-(2-Ethylphenyl)phenyl]methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3752807; BDBM50138171
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| Activity |
EC50 = 65000 nM
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[5] | |||
| Compound Name |
Chembl4240607
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Investigative | Compound Info | ||
| Synonyms |
BDBM50462851
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| Activity |
EC50 = 68780 nM
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[6] | |||
| Compound Name |
3-(4-((4-Fluoro-4'-methyl-[1,1'-biphenyl]-2-yl)methoxy)phenyl)propanoic-2,2-d2 acid
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Investigative | Compound Info | ||
| Synonyms |
GPU-028; CHEMBL4218325
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| Activity |
EC50 = 75900 nM
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[1] | |||
| Compound Name |
(3S)-3-(1-Methylimidazol-2-yl)-3-[4-[[3-(2-methylphenyl)phenyl]methoxy]phenyl]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3753265; BDBM50138173
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| Activity |
EC50 = 89000 nM
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[5] | |||
| Compound Name |
Chembl4242595
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Investigative | Compound Info | ||
| Synonyms |
BDBM50462855
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| Activity |
EC50 ~ 100000 nM
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[6] | |||
| Compound Name |
({5-[(1-Naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL251963; MLS000531695; C15H12N2O2S3; HMS2452L14; ZINC390111; BDBM50232250; STL337426; AKOS022139211; MCULE-3545939025; SMR000136673; SR-01000268913; SR-01000268913-1; ({5-[(1-naphthylmethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetic acid; 2-(5-(naphthalen-1-ylmethylthio)-1,3,4-thiadiazol-2-ylthio)acetic acid
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
10-Hydroxylauric acid
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Investigative | Compound Info | ||
| Synonyms |
10-hydroxydodecanoic Acid; 10-hydroxy-dodecanoic acid; (omega-2)-hydroxylauric acid; SCHEMBL974964; CHEMBL4280780
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| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
11-Hydroxylauric acid
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Investigative | Compound Info | ||
| Synonyms |
11-Hydroxydodecanoic acid; Dodecanoic acid, 11-hydroxy-; 11-hydroxy-dodecanoic acid; Dodecanoic acid,11-hydroxy-; 11-HYDROXY LAURIC ACID; SCHEMBL1882126; CHEMBL4291425; CTK4G8742; DTXSID00954211; LMFA01050165; AKOS027447761; J-018745; Q27146452
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| Activity |
EC50 ~ 100000 nM
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[2] | |||
| Compound Name |
Chembl4239630
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Investigative | Compound Info | ||
| Synonyms |
BDBM50462858
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| Activity |
EC50 ~ 100000 nM
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[6] | |||
| Compound Name |
2-(3-Fluoro-5-pyridin-2-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3941880; GTPL11195; TUG1197; TUG-1197; BDBM50196394; compound 34 [PMID: 27570890]; J3.563.114C; 2-[3-Fluoro-5-(2-pyridinyloxy)phenyl]-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
Chembl4246396
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Investigative | Compound Info | ||
| Synonyms |
BDBM50462846
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| Activity |
EC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
3-[4-[[3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3601060; BDBM50107285
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|
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| Activity |
EC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
2-(3-Chloro-5-pyridin-2-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3910333; BDBM50196402
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-(3-Fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3908362; SCHEMBL1724515; BDBM50196325
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| Activity |
IC50 ~ 100000 nM
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[8] | |||
| Compound Name |
Chembl4250664
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Investigative | Compound Info | ||
| Synonyms |
BDBM50462849
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| Activity |
EC50 ~ 100000 nM
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[6] | |||
| Compound Name |
2-[3-(1,1-Dioxo-3H-1,2-benzothiazol-2-yl)-5-fluorophenoxy]benzonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3951664; BDBM50196408
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| Activity |
IC50 ~ 100000 nM
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[8] | |||
| Compound Name |
2-(3-Fluoro-5-pyridin-4-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3971461; BDBM50196401
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| Activity |
IC50 ~ 100000 nM
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[8] | |||
| Compound Name |
Chembl4239572
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Investigative | Compound Info | ||
| Synonyms |
BDBM50462859
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| Activity |
EC50 ~ 100000 nM
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[6] | |||
| Compound Name |
2-(3-Pyridin-2-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3899190; BDBM50196396
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| Activity |
IC50 ~ 100000 nM
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[8] | |||
| Compound Name |
9-Hydroxy-dodecanoic acid
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Investigative | Compound Info | ||
| Synonyms |
9-hydroxydodecanoic acid; 9-hydroxylauric acid; LMFA01050167; (omega-3)-hydroxylauric acid; SCHEMBL1881322; CHEMBL4288021
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| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
7-Hydroxylauric acid
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Investigative | Compound Info | ||
| Synonyms |
7-hydroxydodecanoic acid; 7-hydroxy-dodecanoic acid; LMFA01050166; SCHEMBL1527361; CHEMBL4287270; C21080; Q27158612
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| Activity |
EC50 ~ 100000 nM
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[2] | |||
| Compound Name |
5-Hydroxydodecaneoic acid sodium salt
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4294243
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| Activity |
EC50 ~ 100000 nM
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[2] | |||
| Compound Name |
Chembl4248845
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Investigative | Compound Info | ||
| Synonyms |
BDBM50462850
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| Activity |
EC50 ~ 100000 nM
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[6] | |||
| Compound Name |
3-(4-Ethynylphenyl)propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3785667; SCHEMBL1550658; BDBM50157566
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| Activity |
EC50 ~ 100000 nM
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[10] | |||
| Compound Name |
Chembl4243863
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Investigative | Compound Info | ||
| Synonyms |
BDBM50462857
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| Activity |
EC50 ~ 100000 nM
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[6] | |||
| Compound Name |
Sodium 4-hydroxydodecanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4283659; SCHEMBL10913917
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| Activity |
EC50 ~ 100000 nM
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[2] | |||
| Compound Name |
Chembl4246850
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL16334456; BDBM50462854; 4-[2,6-difluoro-4-[2-(propan-2-ylamino)phenyl]phenoxy]butanoic acid
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| Activity |
EC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
8-Hydroxydodecanoic acid
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Investigative | Compound Info | ||
| Synonyms |
8-hydroxylauric acid; Dodecanoic acid, 8-hydroxy-; 8-hydroxy-dodecanoic acid; (omega-4)-hydroxylauric acid; SCHEMBL1882579; CHEMBL4277376; CTK0A8412; DTXSID20560515
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| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Improving metabolic stability with deuterium: The discovery of GPU-028, a potent free fatty acid receptor 4 agonists. Bioorg Med Chem. 2017 Dec 15;25(24):6647-6652. | ||||
| REF 2 | Succinct synthesis of saturated hydroxy fatty acids and in vitro evaluation of all hydroxylauric acids on FFA1, FFA4 and GPR84. Medchemcomm. 2017 May 12;8(6):1360-1365. | ||||
| REF 3 | Design and optimization of 2,3-dihydrobenzo[b][1,4]dioxine propanoic acids as novel GPR40 agonists with improved pharmacokinetic and safety profiles. Bioorg Med Chem. 2018 Dec 1;26(22):5780-5791. | ||||
| REF 4 | Identification of diarylsulfonamides as agonists of the free fatty acid receptor 4 (FFA4/GPR120). Bioorg Med Chem Lett. 2014 Jul 15;24(14):3100-3. | ||||
| REF 5 | Discovery of the imidazole-derived GPR40 agonist AM-3189. Bioorg Med Chem Lett. 2016 Jan 1;26(1):15-20. | ||||
| REF 6 | Discovery of novel selective GPR120 agonists with potent anti-diabetic activity by hybrid design. Bioorg Med Chem Lett. 2018 Aug 15;28(15):2599-2604. | ||||
| REF 7 | Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (FFAR1) using virtual screening. J Med Chem. 2008 Feb 14;51(3):625-33. | ||||
| REF 8 | Non-Acidic Free Fatty Acid Receptor 4 Agonists with Antidiabetic Activity. J Med Chem. 2016 Oct 13;59(19):8868-8878. | ||||
| REF 9 | Phenoxymethyl 1,3-oxazoles and 1,2,4-oxadiazoles as potent and selective agonists of free fatty acid receptor 1 (GPR40). Bioorg Med Chem Lett. 2015 Aug 15;25(16):3105-11. | ||||
| REF 10 | Discovery of a Potent Free Fatty Acid 1 Receptor Agonist with Low Lipophilicity, Low Polar Surface Area, and Robust in Vivo Efficacy. J Med Chem. 2016 Mar 24;59(6):2841-6. | ||||
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