Drug General Information
Drug ID
DX6MC5
Drug Name
2-{(3R,5R)-3-[3-(3-Benzenesulfonylaminocarbonyl-phenyl)-ureido]-8-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-N-tert-butyl-acetamide
Synonyms
CHEMBL60754
Indication Discovery agent Investigative [1587926]
Formula
C37H39N5O6S
Canonical SMILES
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)c4ccccc4)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c5ccccc5
InChI
InChI=1S/C37H39N5O6S/c1-24-18-19-29-30(25-12-7-5-8-13-25)22-31(35(45)42(32(29)20-24)23-33(43)40-37(2,3)4)39-36(46)38-27-15-11-14-26(21-27)34(44)41-49(47,48)28-16-9-6-10-17-28/h5-21,30-31H,22-23H2,1-4H3,(H,40,43)(H,41,44)(H2,38,39,46)/t30-,31-/m1/s1
InChIKey
DAZGMBOFHKYQHK-FIRIVFDPSA-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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