Drug Information

Drug General Information
Drug ID
D0E7UW
Former ID
DNC001442
Drug Name
TI3
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535762]
Structure
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2D MOL

3D MOL
Formula
C22H24N2O4S
Canonical SMILES
C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CC3=CC=CC=C3)S)C(=O)<br />O
InChI
1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19+/m1/s1
InChIKey
ZWDQTNWLXALTOV-QYZOEREBSA-N
PubChem Compound ID
448087
PubChem Substance ID
830783, 7890779, 10950464, 15801705, 36890056, 46392991, 46507102, 76325843, 103295426, 103948746, 104638954, 134340624, 160965846
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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