Drug General Information
Drug ID
DX1SSJ
Drug Name
N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[(3R,13R)-3-(1H-indol-3-ylmethyl)-3-methyl-2,5,7-trioxo-1,4,8triaza-cyclotridecane-13-carbonyl]-amino}-succinamic acid
Synonyms
CHEMBL2371224
Indication Discovery agent Investigative [1587926]
Formula
C34H41N7O8
Canonical SMILES
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C34H41N7O8/c1-34(18-21-19-37-23-12-6-5-11-22(21)23)33(49)40-24(13-7-8-14-36-27(42)17-28(43)41-34)31(47)39-26(16-29(44)45)32(48)38-25(30(35)46)15-20-9-3-2-4-10-20/h2-6,9-12,19,24-26,37H,7-8,13-18H2,1H3,(H2,35,46)(H,36,42)(H,38,48)(H,39,47)(H,40,49)(H,41,43)(H,44,45)/t24-,25+,26+,34-/m1/s1
InChIKey
MJIIJPLWPTZNRP-MJQNYGCISA-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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