Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0X1JG
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| Former ID |
DNC006773
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| Drug Name |
3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
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| Synonyms |
3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid; 26180-28-9; 3-(2,5-dimethylpyrrol-1-yl)benzoic acid; 3-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acid; MLS000053036; Benzoic acid, m-(2,5-dimethylpyrrol-1-yl)-; SMR000068999; m-(2,5-Dimethylpyrrol-1-yl)benzoic acid; Benzoic acid,3-(2,5-dimethyl-1H-pyrrol-1-yl)-; 3-(2,5-dimethylpyrrolyl)benzoic acid; SR-01000430237; 3-(2,5-dimethylpyrrol-1-yl) benzoic acd; benzoic acid, 3-(2,5-dimethyl-1h-pyrrol-1-yl)-; BAS 00687694; AC1L4UOW; Probes2_000222; Probes2_000239; Probes1_000276
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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 |
C13H13NO2
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| Canonical SMILES |
CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C
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| InChI |
1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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| InChIKey |
NJPUZFUOUGTNOV-UHFFFAOYSA-N
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| CAS Number |
CAS 26180-28-9
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial Lethal factor (Bact lef) | Target Info | Inhibitor | [1] |
| Pathway Interaction Database | Cellular roles of Anthrax toxin | |||
| Reactome | Uptake and function of anthrax toxins | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening. J Med Chem. 2006 Aug 24;49(17):5232-44. | |||
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