Drug General Information
Drug ID
DXX1MF
Drug Name
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(3,4-dichloro-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acidAcOH; hydrate
Synonyms
CHEMBL3144550
Indication Discovery agent Investigative [1587926]
Formula
C44H51Cl2N7O9
Canonical SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\\C=C/c3ccc(Cl)c(Cl)c3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C44H51Cl2N7O9/c1-44(2,3)62-43(61)53-35(23-28-25-49-32-14-8-7-13-29(28)32)41(59)50-33(15-9-10-20-48-37(54)19-17-27-16-18-30(45)31(46)21-27)40(58)52-36(24-38(55)56)42(60)51-34(39(47)57)22-26-11-5-4-6-12-26/h4-8,11-14,16-19,21,25,33-36,49H,9-10,15,20,22-24H2,1-3H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,55,56)/b19-17-/t33-,34-,35-,36-/m0/s1
InChIKey
NFKVCYCVSZPFPC-ZMQUUFOHSA-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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