Drug General Information
Drug ID
DXS25E
Drug Name
2-{(3R,5R)-3-[3-(3-Chloro-phenyl)-ureido]-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-N-(1-methyl-1-phenyl-ethyl)-acetamide
Synonyms
CHEMBL446682
Indication Discovery agent Investigative [1587926]
Formula
C34H33ClN4O3
Canonical SMILES
CC(C)(NC(=O)CN1C(=O)[C@@H](C[C@H](c2ccccc2)c3ccccc13)NC(=O)Nc4cccc(Cl)c4)c5ccccc5
InChI
InChI=1S/C34H33ClN4O3/c1-34(2,24-14-7-4-8-15-24)38-31(40)22-39-30-19-10-9-18-27(30)28(23-12-5-3-6-13-23)21-29(32(39)41)37-33(42)36-26-17-11-16-25(35)20-26/h3-20,28-29H,21-22H2,1-2H3,(H,38,40)(H2,36,37,42)/t28-,29-/m1/s1
InChIKey
DVASHPOLPKOKGD-FQLXRVMXSA-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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