Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00DDO
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| Former ID |
DNC009416
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| Drug Name |
3-Bromo-5-phenylsalicylc acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C13H9BrO3
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| Canonical SMILES |
C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)O)C(=O)O
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| InChI |
1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
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| InChIKey |
XVZSXNULHSIRCQ-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Aldo-keto reductase family 1 member C3 | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Allopregnanolone biosynthesis | |||||
| Androgen biosynthesis | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Arachidonic acid metabolism | |||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | ||||
| PathWhiz Pathway | Arachidonic Acid Metabolism | ||||
| Reactome | Retinoid metabolism and transport | ||||
| WikiPathways | Metapathway biotransformation | ||||
| Benzo(a)pyrene metabolism | |||||
| Arachidonic acid metabolism | |||||
| References | |||||
| REF 1 | J Med Chem. 2009 May 28;52(10):3259-64.Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1). | ||||
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