Drug Information

Drug General Information
Drug ID
D09LSX
Former ID
DNC006237
Drug Name
KU-0058948
Drug Type
Small molecular drug
Indication Ovarian cancer [ICD9: 183; ICD10:C56] Approved [533123]
Structure
Download
2D MOL

3D MOL
Formula
C21H21FN4O2
Canonical SMILES
C1CNCCN(C1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F
InChI
1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)
InChIKey
HGEPGGJUGUMFHT-UHFFFAOYSA-N
PubChem Compound ID
11291932
Target and Pathway
Target(s) Poly [ADP-ribose] polymerase-1 Target Info Inhibitor [530062]
KEGG Pathway Base excision repair
NF-kappa B signaling pathway
PANTHER Pathway FAS signaling pathway
Pathway Interaction Database Integrin-linked kinase signaling
Caspase Cascade in Apoptosis
Notch-mediated HES/HEY network
Reactome Dual Incision in GG-NER
WikiPathways FAS pathway and Stress induction of HSP regulation
Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer
Nanoparticle triggered regulated necrosis
Corticotropin-releasing hormone
References
Ref 5331232014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
Ref 530062J Med Chem. 2009 May 14;52(9):3108-11.Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.

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