Drug General Information
Drug ID
DX5RTE
Drug Name
N-tert-Butyl-2-{(3R,5R)-8-methyl-2-oxo-5-phenyl-3-[3-(3-phenylmethanesulfonylaminocarbonyl-phenyl)-ureido]-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide
Synonyms
CHEMBL408392
Indication Discovery agent Investigative [1587926]
Formula
C38H41N5O6S
Canonical SMILES
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)Cc4ccccc4)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c5ccccc5
InChI
InChI=1S/C38H41N5O6S/c1-25-18-19-30-31(27-14-9-6-10-15-27)22-32(36(46)43(33(30)20-25)23-34(44)41-38(2,3)4)40-37(47)39-29-17-11-16-28(21-29)35(45)42-50(48,49)24-26-12-7-5-8-13-26/h5-21,31-32H,22-24H2,1-4H3,(H,41,44)(H,42,45)(H2,39,40,47)/t31-,32-/m1/s1
InChIKey
LJAZTWRBCMHLKX-ROJLCIKYSA-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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