Drug General Information
Drug ID
DX1JCV
Drug Name
Boc-Tyr(So3-)-Met-Gly-Trp-Nle-Asp-psi(CH2NH)-Phe-NH2
Synonyms
CHEMBL1159911
Indication Discovery agent Investigative [1587926]
Formula
C51H69N9O14S2
Canonical SMILES
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccc(OS(=O)(=O)O)cc3)NC(=O)OC(C)(C)C)C(=O)N[C@H](CN[C@@H](Cc4ccccc4)C(=O)N)CC(=O)O
InChI
InChI=1S/C51H69N9O14S2/c1-6-7-16-38(47(66)56-34(27-44(62)63)29-54-40(45(52)64)24-31-13-9-8-10-14-31)58-49(68)42(26-33-28-53-37-17-12-11-15-36(33)37)57-43(61)30-55-46(65)39(22-23-75-5)59-48(67)41(60-50(69)73-51(2,3)4)25-32-18-20-35(21-19-32)74-76(70,71)72/h8-15,17-21,28,34,38-42,53-54H,6-7,16,22-27,29-30H2,1-5H3,(H2,52,64)(H,55,65)(H,56,66)(H,57,61)(H,58,68)(H,59,67)(H,60,69)(H,62,63)(H,70,71,72)/t34-,38-,39-,40-,41-,42-/m0/s1
InChIKey
JUTKDGXEUGFZKQ-XLAHBAAGSA-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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