Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0L6LO
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| Former ID |
DNC001443
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| Drug Name |
TI4
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [535762] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C30H23N9O6S2
|
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| Canonical SMILES |
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4.C1=CC(=CC=C<br />1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)[N+](=O)[O-]
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| InChI |
1S/C15H9N5O5S2.C15H14N4O/c21-10-8-7(5-1-3-6(4-2-5)20(23)24)9-11(22)17-15(27)19-13(9)25-12(8)18-14(26)16-10;1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h1-4,7H,(H2,16,18,21,26)(H2,17,19,22,27);2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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| InChIKey |
AZWLWPRKAXYXIC-UHFFFAOYSA-N
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| CAS Number |
CAS 223393-69-9
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| 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 | ||||
| References | |||||
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