Drug General Information
Drug ID
D0L9OU
Former ID
DNC012523
Drug Name
PD-138916
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551254]
Structure
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2D MOL

3D MOL

Formula
C36H44N4O6
Canonical SMILES
CC(CC1=CNC2=CC=CC=C21)(C(=O)NC(CC3=CC=CC=C3)CNC(=O)CCC(<br />=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6
InChI
1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23?,24?,25?,26?,28-,33?,36-/m1/s1
InChIKey
HAQJDPAHYIINDW-YUUWEXFGSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cholecystokinin receptor type A Target Info Inhibitor [551254]
Gastrin/cholecystokinin type B receptor Target Info Inhibitor [551254]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Pancreatic secretionhsa04020:Calcium signaling pathway
Gastric acid secretion
PANTHER Pathway CCKR signaling map ST
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPK
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
Secretion of Hydrochloric Acid in Parietal Cells
GPCR downstream signaling
GPCRs, Other
References
Ref 551254Selective ligands for cholecystokinin receptor subtypes CCK-A and CCK-B within a single structural class, Bioorg. Med. Chem. Lett. 3(5):881-884 (1993).
Ref 551254Selective ligands for cholecystokinin receptor subtypes CCK-A and CCK-B within a single structural class, Bioorg. Med. Chem. Lett. 3(5):881-884 (1993).

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