Drug Information

Drug General Information
Drug ID
D05XMG
Former ID
DNC005260
Drug Name
AG-014376
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527248]
Formula
C20H21N3O
Canonical SMILES
CN(C)CC1=CC=C(C=C1)C2=CC3=C4N2CCNC(=O)C4=CC=C3
InChI
1S/C20H21N3O/c1-22(2)13-14-6-8-15(9-7-14)18-12-16-4-3-5-17-19(16)23(18)11-10-21-20(17)24/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKey
PISBNXWDAGANOP-UHFFFAOYSA-N
PubChem Compound ID
9797108
Target and Pathway
Target(s) Poly [ADP-ribose] polymerase-1 Target Info Inhibitor [527248]
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 527248J Med Chem. 2004 Oct 21;47(22):5467-81.Design, synthesis, and evaluation of 3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-ones as inhibitors of poly(ADP-ribose) polymerase.
Ref 527248J Med Chem. 2004 Oct 21;47(22):5467-81.Design, synthesis, and evaluation of 3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-ones as inhibitors of poly(ADP-ribose) polymerase.

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