Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0JQ7W
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| Former ID |
DNC009890
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| Drug Name |
2-bromo-4-methylphenyl 2-nitrobenzoate
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| Synonyms |
2-bromo-4-methylphenyl 2-nitrobenzoate; CHEMBL549456; AC1LDUV8; Oprea1_572597; Oprea1_573870; ARONIS001613; ZINC38499; MolPort-001-525-391; KS-00003V1E; STK096466; BDBM50297528; AKOS000491705; MCULE-5867447196; ST054603; (2-bromo-4-methylphenyl) 2-nitrobenzoate
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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 |
C14H10BrNO4
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| Canonical SMILES |
CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-])Br
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| InChI |
1S/C14H10BrNO4/c1-9-6-7-13(11(15)8-9)20-14(17)10-4-2-3-5-12(10)16(18)19/h2-8H,1H3
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| InChIKey |
GWWHSLCVPYBDPI-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial Fatty acid synthetase I (Bact inhA) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of potential new InhA direct inhibitors based on pharmacophore and 3D-QSAR analysis followed by in silico screening. Eur J Med Chem. 2009 Sep;44(9):3718-30. | |||
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