Drug General Information
Drug ID
DX1SII
Drug Name
2-[(3R,5S,7R)-2-Oxo-7-phenyl-5-o-tolyl-3-(3-m-tolyl-ureido)-azepan-1-yl]-N-o-tolyl-acetamide
Synonyms
CHEMBL317615
Indication Discovery agent Investigative [1587926]
Formula
C36H38N4O3
Canonical SMILES
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccccc3C)C2=O)c4ccccc4)c5ccccc5C)c1
InChI
InChI=1S/C36H38N4O3/c1-24-12-11-17-29(20-24)37-36(43)39-32-21-28(30-18-9-7-13-25(30)2)22-33(27-15-5-4-6-16-27)40(35(32)42)23-34(41)38-31-19-10-8-14-26(31)3/h4-20,28,32-33H,21-23H2,1-3H3,(H,38,41)(H2,37,39,43)/t28-,32+,33+/m0/s1
InChIKey
KGFIYGFYTIJLRJ-XEUSQTKLSA-N
Target and Pathway
Target(s) Gastrin/cholecystokinin type B receptor Target Info [1587926]
Cholecystokinin receptor type A Target Info [1587926]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04020:Calcium signaling pathway
Insulin secretion
Pancreatic secretion
PANTHER Pathway CCKR signaling map ST
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPKR-HSA-375276:Peptide ligand-binding receptors
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Secretion of Hydrochloric Acid in Parietal Cells
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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