Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0E7UW
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| Former ID |
DNC001442
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| Drug Name |
TI3
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| Synonyms |
RB106; CHEMBL419499; [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-GLY-(5-PHENYLPROLINE); TI3; 1qf2; AC1L9LL2; BDBM50051785; DB02669; N-[(S)-2-Mercapto-3-phenylpropionyl]-Gly-[(5R)-5-phenyl-L-Pro-]-OH; N-[(2S)-3-phenyl-2-sulfanylpropanoyl]glycyl-(5R)-5-phenyl-L-proline; (2S,5R)-5-phenyl-1-[2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid; (2S,5R)-1-[2-((S)-2-Mercapto-3-phenyl-propionylamino)-acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C22H24N2O4S
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| Canonical SMILES |
C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CC3=CC=CC=C3)S)C(=O)O
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| 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
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| InChIKey |
ZWDQTNWLXALTOV-QYZOEREBSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Poly [ADP-ribose] polymerase 1 (PARP1) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Identification 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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