Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09TED
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| Former ID |
DNC012620
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| Drug Name |
L-162234
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| Synonyms |
CHEMBL292150; L-162234; SCHEMBL9377635; IVFMKMCSJZZCKV-UHFFFAOYSA-N; BDBM50035451; L008869; 5-n-Butyl-4-[[2''-[N-(tert-butoxycarbonyl)sulfamoyl]biphenyl-4yl]methyl]-2-[2-trifluoromethyl-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one; 4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid amide-N-carbonyoxylterbutyl; 4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2-tert-butoxycarbonyl)amide
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| Drug Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C31H33F3N4O5S
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| Canonical SMILES |
CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC(C)(C)C)C4=CC=CC=C4C(F)(F)F
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| InChI |
1S/C31H33F3N4O5S/c1-5-6-15-27-35-38(25-13-9-8-12-24(25)31(32,33)34)29(40)37(27)20-21-16-18-22(19-17-21)23-11-7-10-14-26(23)44(41,42)36-28(39)43-30(2,3)4/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,36,39)
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| InChIKey |
IVFMKMCSJZZCKV-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Angiotensin II receptor type-2 (AGTR2) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Adrenergic signaling in cardiomyocytes | ||||
| Renin-angiotensin system | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | ACE Inhibitor Pathway | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Quantized surface complementarity diversity (QSCD): a model based on small molecule-target complementarity. J Med Chem. 2000 May 18;43(10):1993-2006. | |||
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