Drug General Information
Drug ID
DX9IFZ
Drug Name
3-{5-Amino-2-[2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-pentanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
Synonyms
CHEMBL3350331
Indication Discovery agent Investigative [1587926]
Formula
C42H51N7O10
Canonical SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc3ccccc3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C42H51N7O10/c1-42(2,3)59-41(57)49-33(22-28-24-45-30-18-11-10-17-29(28)30)38(54)46-31(19-12-20-44-40(56)58-25-27-15-8-5-9-16-27)37(53)48-34(23-35(50)51)39(55)47-32(36(43)52)21-26-13-6-4-7-14-26/h4-11,13-18,24,31-34,45H,12,19-23,25H2,1-3H3,(H2,43,52)(H,44,56)(H,46,54)(H,47,55)(H,48,53)(H,49,57)(H,50,51)/t31-,32-,33-,34-/m0/s1
InChIKey
YYCUFSCOTMUZTH-CUPIEXAXSA-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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