Drug General Information
Drug ID
DXK8FR
Drug Name
CCK7 analogue
Synonyms
CHEMBL408286
Indication Discovery agent Investigative [1587926]
Formula
C49H58N8O13S
Canonical SMILES
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)c3ccc4cc(OS(=O)(=O)O)ccc4c3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N
InChI
InChI=1S/C49H58N8O13S/c1-3-5-15-37(54-45(62)32-19-18-31-24-34(70-71(67,68)69)21-20-30(31)23-32)46(63)52-28-42(58)53-40(25-33-27-51-36-17-11-10-14-35(33)36)48(65)55-38(16-6-4-2)47(64)57-41(26-43(59)60)49(66)56-39(44(50)61)22-29-12-8-7-9-13-29/h7-14,17-21,23-24,27,37-41,51H,3-6,15-16,22,25-26,28H2,1-2H3,(H2,50,61)(H,52,63)(H,53,58)(H,54,62)(H,55,65)(H,56,66)(H,57,64)(H,59,60)(H,67,68,69)/t37-,38-,39-,40-,41-/m0/s1
InChIKey
MPLZTZIWSHXYGD-LSLOANPCSA-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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