Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0G2DQ
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| Former ID |
DNC005275
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| Drug Name |
5-Nitro-1H-indole-2,3-dione
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| Synonyms |
5-Nitroisatin; 611-09-6; 5-Nitroindoline-2,3-dione; 5-Nitroindole-2,3-dione; 5-Nitro-1H-indole-2,3-dione; 1H-Indole-2,3-dione, 5-nitro-; N-Nitroisatin; Isatin, 5-nitro-; INDOLE-2,3-DIONE, 5-NITRO-; CCRIS 4031; UNII-J4J633881Z; 5-Nitroisatin, 97%; EINECS 210-252-5; NSC 525798; 2,3-Dihydro-5-nitroindole-2,3-dione; BRN 0180223; CHEMBL118305; UNMYHYODJHKLOC-UHFFFAOYSA-N; J4J633881Z; 5-nitro-2,3-dihydro-1H-indole-2,3-dione; 5-Nitro isatin; Isatin, 5-nitro- (6CI); 5-nitroisatine; Isatin analog 3; NSC525798; PubChem15514; Indole-2, 5-nitro
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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 |
C8H4N2O4
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| Canonical SMILES |
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2
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| InChI |
1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
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| InChIKey |
UNMYHYODJHKLOC-UHFFFAOYSA-N
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| CAS Number |
CAS 611-09-6
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:149791
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Plasmodium CDK Pfmrk (Malaria Pfmrk) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different class... J Med Chem. 2004 Oct 21;47(22):5418-26. | |||
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