Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02KMI
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| Drug Name |
PMID27841036-Compound-33
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| Drug Type |
Small molecular drug
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| Company |
SHANGHAI HENGRUI PHARM CO LTD [CNJIANGSU HENGRUI MEDICINE CO [CNTANG PENGCHO [CNLI XIN [CNLI XIANGQIN [CNCHEN YANG [CNWANG BIN [CNZHU ZHE [CN]
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| Structure |
 |
Download2D MOL |
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| Formula |
C22H16F4N6O2
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| Canonical SMILES |
C1CN2C(=NC(=N2)C(F)(F)F)CN1C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F
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| InChI |
1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)
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| InChIKey |
XJGXCBHXFWBOTN-UHFFFAOYSA-N
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| CAS Number |
CAS 1358715-18-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Poly [ADP-ribose] polymerase 1 (PARP1) | Target Info | Inhibitor | [1] |
| Target's Patent Info | Poly [ADP-ribose] polymerase 1 (PARP1) | Target's Patent Info | [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 | PARP inhibitors as antitumor agents: a patent update (2013-2015).Expert Opin Ther Pat. 2017 Mar;27(3):363-382. | |||
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