Drug General Information
Drug ID
DX1HNN
Drug Name
(S)-3-[(S)-2-[2-((S)-3-tert-Butyl-ureido)-3-(1H-indol-3-yl)-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-((S)-1-carbamoyl-2-phenyl-ethyl)-N-methyl-succinamic acid
Synonyms
CHEMBL318570
Indication Discovery agent Investigative [1587926]
Formula
C44H57N9O8
Canonical SMILES
CN([C@@H](Cc1ccccc1)C(=O)N)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)Nc2ccccc2C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)NC(C)(C)C
InChI
InChI=1S/C44H57N9O8/c1-27-15-9-11-19-31(27)50-42(60)46-22-14-13-21-33(39(57)49-35(25-37(54)55)41(59)53(5)36(38(45)56)23-28-16-7-6-8-17-28)48-40(58)34(51-43(61)52-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,56)(H,48,58)(H,49,57)(H,54,55)(H2,46,50,60)(H2,51,52,61)/t33-,34-,35-,36-/m0/s1
InChIKey
VIQURDAREXEADC-ZYADHFCISA-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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