Drug General Information
Drug ID
DXR6EO
Drug Name
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[(naphthalene-2-carbonyl)-amino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
Synonyms
CHEMBL292519
Indication Discovery agent Investigative [1587926]
Formula
C46H53N7O9
Canonical SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c3ccc4ccccc4c3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N
InChI
InChI=1S/C46H53N7O9/c1-46(2,3)62-45(61)53-37(25-32-27-49-34-18-10-9-17-33(32)34)43(59)50-35(19-11-12-22-48-41(57)31-21-20-29-15-7-8-16-30(29)24-31)42(58)52-38(26-39(54)55)44(60)51-36(40(47)56)23-28-13-5-4-6-14-28/h4-10,13-18,20-21,24,27,35-38,49H,11-12,19,22-23,25-26H2,1-3H3,(H2,47,56)(H,48,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,55)/t35-,36-,37-,38-/m0/s1
InChIKey
PIEJTTMHOPAZIA-ZQWQDMLBSA-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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