Drug General Information
Drug ID
DX1DIX
Drug Name
N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chloro-phenyl)-ureido]-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-N-methyl-acetamide
Synonyms
CHEMBL126865
Indication Discovery agent Investigative [1587926]
Formula
C30H33ClN4O3
Canonical SMILES
CN(C(=O)CN1C(=O)[C@@H](C[C@H](c2ccccc2)c3ccccc13)NC(=O)Nc4cccc(Cl)c4)C(C)(C)C
InChI
InChI=1S/C30H33ClN4O3/c1-30(2,3)34(4)27(36)19-35-26-16-9-8-15-23(26)24(20-11-6-5-7-12-20)18-25(28(35)37)33-29(38)32-22-14-10-13-21(31)17-22/h5-17,24-25H,18-19H2,1-4H3,(H2,32,33,38)/t24-,25-/m1/s1
InChIKey
UGINDELNLJSTRU-JWQCQUIFSA-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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