pentagastrin   Click here for help

GtoPdb Ligand ID: 870

Synonyms: AY-6608 | ICI-50123 | Peptavlon®
Approved drug
pentagastrin is an approved drug (FDA (1974))
Compound class: Peptide
Comment: There seems to be some disagreement surrounding the exact chemical structure and stereochemistry of pentagastrin, with the alternative representation being CHEMBL1328, which corresponds to CID 9853654.
Click here for help
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCNC(=O)OCC(C)C
Isomeric SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CCNC(=O)OCC(C)C
InChI InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t27-,28-,29-,30-/m0/s1
InChI Key ALXRNCVIQSDJAO-KRCBVYEFSA-N
No information available.
Summary of Clinical Use Click here for help
Used as a diagnostic aid for evaluation of gastric acid secretory function.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Like the endogenous peptide gastrin, pentegastrin is llikely to act through activation of cholecystokinin B receptors, to induce gastric acid secretion. However, we have been unable to find affinity data for this drug (at the human target) to substantiate this MMOA.