Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01AUS
|
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| Former ID |
DNC006083
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| Drug Name |
4-[4-benzyloxy)benzoyl]benzoic 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 |
C21H16O4
|
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| Canonical SMILES |
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)O
|
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| InChI |
1S/C21H16O4/c22-20(16-6-8-18(9-7-16)21(23)24)17-10-12-19(13-11-17)25-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,23,24)
|
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| InChIKey |
ZSVDQQIAIVOVRI-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | Target Info | Inhibitor | [1] | |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Target Info | Inhibitor | [1] | ||
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Allopregnanolone biosynthesis | |||||
| Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis | |||||
| Androgen biosynthesis | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Prostate cancerhsa00140:Steroid hormone biosynthesis | |||||
| NetPath Pathway | IL2 Signaling Pathway | ||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| Reactome | Androgen biosynthesisR-HSA-193048:Androgen biosynthesis | ||||
| References | |||||
| REF 1 | J Med Chem. 2006 Jan 26;49(2):748-59.Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of phenoxybenzoylphenyl acetic acids. | ||||
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