Drug General Information
Drug ID
DXA4FT
Drug Name
(S)-3-((S)-2-((S)-2-acetamido-3-(1H-indol-3-yl)propanamido)hexanamido)-4-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-oxobutanoic acid
Synonyms
CHEMBL3400294
Indication Discovery agent Investigative [1587926]
Formula
C32H40N6O7
Canonical SMILES
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N
InChI
InChI=1S/C32H40N6O7/c1-3-4-13-24(36-31(44)26(35-19(2)39)16-21-18-34-23-14-9-8-12-22(21)23)30(43)38-27(17-28(40)41)32(45)37-25(29(33)42)15-20-10-6-5-7-11-20/h5-12,14,18,24-27,34H,3-4,13,15-17H2,1-2H3,(H2,33,42)(H,35,39)(H,36,44)(H,37,45)(H,38,43)(H,40,41)/t24-,25-,26-,27-/m0/s1
InChIKey
KPZOPIJZBRPMTK-FWEHEUNISA-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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