Drug Information

Drug General Information
Drug ID
D0A2MP
Former ID
DNC001441
Drug Name
TI1
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535762]
Structure
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2D MOL

3D MOL
Formula
C19H28N2O4S
Canonical SMILES
CCCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)O)S
InChI
1S/C19H28N2O4S/c1-3-4-6-11-16(26)18(23)21-15(12-14-9-7-5-8-10-14)17(22)20-13(2)19(24)25/h5,7-10,13,15-16,26H,3-4,6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15-,16-/m0/s1
InChIKey
GOIYKVXXGCPHQU-BPUTZDHNSA-N
PubChem Compound ID
5289469
PubChem Substance ID
830782, 7890777, 39321659, 46392990, 46505753, 52058356, 113874414, 134339549, 134340623, 160965777
Target and Pathway
Target(s) Poly [ADP-ribose] polymerase-1 Target Info Inhibitor [535762]
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 535762Identification of potent nontoxic poly(ADP-Ribose) polymerase-1 inhibitors: chemopotentiation and pharmacological studies. Clin Cancer Res. 2003 Jul;9(7):2711-8.
Ref 535762Identification of potent nontoxic poly(ADP-Ribose) polymerase-1 inhibitors: chemopotentiation and pharmacological studies. Clin Cancer Res. 2003 Jul;9(7):2711-8.

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