Drug General Information
Drug ID
DX3DZW
Drug Name
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[2-(4-hydroxy-phenyl)-acetylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
Synonyms
CHEMBL3144541
Indication Discovery agent Investigative [1587926]
Formula
C43H53N7O10
Canonical SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Cc3ccc(O)cc3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C43H53N7O10/c1-43(2,3)60-42(59)50-34(23-28-25-46-31-14-8-7-13-30(28)31)40(57)47-32(15-9-10-20-45-36(52)22-27-16-18-29(51)19-17-27)39(56)49-35(24-37(53)54)41(58)48-33(38(44)55)21-26-11-5-4-6-12-26/h4-8,11-14,16-19,25,32-35,46,51H,9-10,15,20-24H2,1-3H3,(H2,44,55)(H,45,52)(H,47,57)(H,48,58)(H,49,56)(H,50,59)(H,53,54)/t32-,33-,34-,35-/m0/s1
InChIKey
CTFIFDUMDISFNQ-BBACVFHCSA-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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