Drug General Information
Drug ID
DXK0SS
Drug Name
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((S)-3-1H-indol-3-yl-2-isopropoxycarbonylamino-propionylamino)-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid
Synonyms
CHEMBL107694
Indication Discovery agent Investigative [1587926]
Formula
C43H54N8O9
Canonical SMILES
CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc3ccccc3C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C43H54N8O9/c1-26(2)60-43(59)50-34(23-29-25-46-32-19-11-9-17-30(29)32)40(56)47-33(20-12-13-21-45-42(58)49-31-18-10-8-14-27(31)3)39(55)48-35(24-37(52)53)41(57)51(4)36(38(44)54)22-28-15-6-5-7-16-28/h5-11,14-19,25-26,33-36,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,55)(H,50,59)(H,52,53)(H2,45,49,58)/t33-,34-,35-,36-/m0/s1
InChIKey
OHDXPYVPMSQWLS-ZYADHFCISA-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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