Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D07FFL
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| Former ID |
DNC009073
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| Drug Name |
ADOCIAQUINONE B
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [529691] | ||
| Structure |
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Download2D MOL |
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| Formula |
C22H17NO6S
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| Canonical SMILES |
CC12CCCC3=COC(=C31)C(=O)C4=C2C=C5C(=C4)C(=O)C6=C(C5=O)S<br />(=O)(=O)CCN6
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| InChI |
1S/C22H17NO6S/c1-22-4-2-3-10-9-29-20(15(10)22)18(25)13-7-11-12(8-14(13)22)19(26)21-16(17(11)24)23-5-6-30(21,27)28/h7-9,23H,2-6H2,1H3/t22-/m0/s1
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| InChIKey |
KJMXEMKLXNMFIG-QFIPXVFZSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | M-phase inducer phosphatase 2 | Target Info | Inhibitor | [529691] | |
| Dual specificity protein phosphatase 1 | Target Info | Inhibitor | [529817] | ||
| Pathway Interaction Database | PLK1 signaling events | ||||
| FOXM1 transcription factor network | |||||
| p38 signaling mediated by MAPKAP kinases | |||||
| Aurora A signalingfcer1pathway:Fc-epsilon receptor I signaling in mast cells | |||||
| Regulation of p38-alpha and p38-beta | |||||
| Direct p53 effectors | |||||
| ErbB1 downstream signaling | |||||
| ATF-2 transcription factor network | |||||
| AP-1 transcription factor network | |||||
| References | |||||
| Ref 529691 | Bioorg Med Chem. 2008 Oct 1;16(19):9040-9. Epub 2008 Aug 7.Novel naphthoquinone and quinolinedione inhibitors of CDC25 phosphatase activity with antiproliferative properties. | ||||
| Ref 529817 | Bioorg Med Chem. 2009 Mar 15;17(6):2276-81. Epub 2008 Nov 8.Bioactivities of simplified adociaquinone B and naphthoquinone derivatives against Cdc25B, MKP-1, and MKP-3 phosphatases. | ||||
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