Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05XPT
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| Former ID |
DNC006082
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| Drug Name |
(3-methyl-4-(4-phenoxybenzoyl)phenyl)acetic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C22H18O4
|
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| Canonical SMILES |
CC1=C(C=CC(=C1)CC(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
|
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| InChI |
1S/C22H18O4/c1-15-13-16(14-21(23)24)7-12-20(15)22(25)17-8-10-19(11-9-17)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,24)
|
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| InChIKey |
XPAYPQXQKZWIEL-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Target Info | Inhibitor | [1] | |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 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 biosynthesishsa00140:Steroid hormone biosynthesis | ||||
| Prostate cancer | |||||
| 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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