Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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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| Synonyms |
4906-68-7; CHEMBL387536; 3-bromo-5-phenylsalicylic acid; 3-bromo-5-phenylsalicyclic acid; 5-bromo-4-hydroxybiphenyl-3-carboxylic acid; 5-Bromo-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid; 3-bromo-2-hydroxy-5-phenylbenzoic acid; 3-Bromo-5-phenylsalicylc acid; NSC109116; [1,1'-biphenyl]-3-carboxylic acid, 5-bromo-4-hydroxy-; AC1L6KWF; AC1Q25S5; SCHEMBL18319714; KS-00002WWQ; CTK1D8664; 3-bromo-5-phenyl-Salicylic Acid; DTXSID70296397; MolPort-018-496-593; XVZSXNULHSIRCQ-UHFFFAOYSA-N; ZINC1701218; BDBM50219490; AKOS005151372
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | 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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| CAS Number |
CAS 4906-68-7
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Dihydrodiol dehydrogenase type I (AKR1C3) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20... J Med Chem. 2009 May 28;52(10):3259-64. | |||
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