TTD | Drug: D05XMG

Drug General Information
Drug ID	D05XMG
Former ID	DNC005260
Drug Name	AG-014376
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527248]
Structure		Download 2D MOL 3D MOL
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
KEGG Pathway	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 527248	J 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 527248	J 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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Drug Information