Drug Information

Drug General Information
Drug ID
D0A9EA
Former ID
DNC012531
Drug Name
PD-138917
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-/m0/s1
InChIKey
HAQJDPAHYIINDW-HXWIKMKJSA-N
PubChem Compound ID
14802522
Target and Pathway
Target(s) Gastrin/cholecystokinin type B receptor Target Info Inhibitor [551254]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid 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 MAPK
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, 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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