Drug General Information
Drug ID
DXW2SP
Drug Name
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[(6-hydroxy-naphthalene-2-carbonyl)-amino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
Synonyms
CHEMBL278447
Indication Discovery agent Investigative [1587926]
Formula
C46H53N7O10
Canonical SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c3ccc4cc(O)ccc4c3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N
InChI
InChI=1S/C46H53N7O10/c1-46(2,3)63-45(62)53-37(24-31-26-49-34-14-8-7-13-33(31)34)43(60)50-35(15-9-10-20-48-41(58)30-17-16-29-23-32(54)19-18-28(29)22-30)42(59)52-38(25-39(55)56)44(61)51-36(40(47)57)21-27-11-5-4-6-12-27/h4-8,11-14,16-19,22-23,26,35-38,49,54H,9-10,15,20-21,24-25H2,1-3H3,(H2,47,57)(H,48,58)(H,50,60)(H,51,61)(H,52,59)(H,53,62)(H,55,56)/t35-,36-,37-,38-/m0/s1
InChIKey
LZGZBJUVAOQPOU-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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