Drug General Information
Drug ID
DXM8QZ
Drug Name
3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indolyl)ethylcarboxamido]-5-formamido-para-methyl phenylaminopentylcarboxamido}-3-(1-carbamoyl-2-phenylethylcarbamoyl)propanoic acid
Synonyms
CHEMBL262767
Indication Discovery agent Investigative [1587926]
Formula
C43H54N8O9
Canonical SMILES
Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)cc1
InChI
InChI=1S/C43H54N8O9/c1-26-17-19-29(20-18-26)47-41(58)45-21-11-10-16-32(38(55)50-35(24-36(52)53)40(57)49-33(37(44)54)22-27-12-6-5-7-13-27)48-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-15-9-8-14-30(28)31/h5-9,12-15,17-20,25,32-35,46H,10-11,16,21-24H2,1-4H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t32-,33-,34-,35-/m0/s1
InChIKey
ISFONDKXOYCMHN-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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