Drug General Information
Drug ID
DX9VHU
Drug Name
Boc-Trp-Phg-Asp-1Nal-N(CH3)2
Synonyms
CHEMBL436722
Indication Discovery agent Investigative [1587926]
Formula
C43H48N6O8
Canonical SMILES
CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)c5ccccc5
InChI
InChI=1S/C43H48N6O8/c1-43(2,3)57-42(56)47-33(23-29-25-44-32-21-12-11-20-31(29)32)39(53)48-37(27-15-7-6-8-16-27)40(54)45-34(24-36(50)51)38(52)46-35(41(55)49(4)5)22-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,44H,22-24H2,1-5H3,(H,45,54)(H,46,52)(H,47,56)(H,48,53)(H,50,51)/t33-,34-,35-,37-/m0/s1
InChIKey
NCXFVQVUXTYYEG-SZHYKVQFSA-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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