Drug General Information
Drug ID
DX6XQY
Drug Name
N-tert-Butyl-2-[(3R,5S,7R)-7-(4-fluoro-phenyl)-2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-azepan-1-yl]-acetamide
Synonyms
CHEMBL330197
Indication Discovery agent Investigative [1587926]
Formula
C32H37FN4O3
Canonical SMILES
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c3ccc(F)cc3)c4ccccc4)c1
InChI
InChI=1S/C32H37FN4O3/c1-21-9-8-12-26(17-21)34-31(40)35-27-18-24(22-10-6-5-7-11-22)19-28(23-13-15-25(33)16-14-23)37(30(27)39)20-29(38)36-32(2,3)4/h5-17,24,27-28H,18-20H2,1-4H3,(H,36,38)(H2,34,35,40)/t24-,27+,28+/m0/s1
InChIKey
IIYXZVJGZRIIKG-HNPKZYAISA-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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