Drug General Information
Drug ID
DXB9LO
Drug Name
(S)-3-({1-[(S)-2-(2-Amino-acetylamino)-3-(S)-1H-indol-3-yl-propionyl]-4-propyl-pyrrolidine-2-carbonyl}-amino)-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid
Synonyms
CHEMBL292493
Indication Discovery agent Investigative [1587926]
Formula
C34H43N7O7
Canonical SMILES
CCCC1C[C@H](N(C1)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C34H43N7O7/c1-2-8-21-14-28(33(47)40-26(16-30(43)44)32(46)39-25(31(36)45)13-20-9-4-3-5-10-20)41(19-21)34(48)27(38-29(42)17-35)15-22-18-37-24-12-7-6-11-23(22)24/h3-7,9-12,18,21,25-28,37H,2,8,13-17,19,35H2,1H3,(H2,36,45)(H,38,42)(H,39,46)(H,40,47)(H,43,44)/t21?,25-,26-,27-,28-/m0/s1
InChIKey
OGWBASUUCLOVLN-ZKGQYAQGSA-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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