Drug General Information
Drug ID
DXU6E7
Drug Name
CCK7 analogue
Synonyms
CHEMBL99499
Indication Discovery agent Investigative [1587926]
Formula
C47H58N8O13S
Canonical SMILES
CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N\\C(=C/c4ccccc4)\\C(=O)N
InChI
InChI=1S/C47H58N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,24,27,35-36,38-39,49H,3-6,15-16,20,23,25-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/b37-24-/t35-,36-,38-,39-/m0/s1
InChIKey
QOSWNOTZBYMOLA-BWWHJCTISA-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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