Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0I0KV
|
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| Former ID |
DNC006186
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| Drug Name |
16-(2',2'-Dimethyl)-propylidene-estrone
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C23H30O2
|
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| Canonical SMILES |
CC12CCC3C(C1CC(=CC(C)(C)C)C2=O)CCC4=C3C=CC(=C4)O
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| InChI |
1S/C23H30O2/c1-22(2,3)13-15-12-20-19-7-5-14-11-16(24)6-8-17(14)18(19)9-10-23(20,4)21(15)25/h6,8,11,13,18-20,24H,5,7,9-10,12H2,1-4H3/b15-13+/t18?,19?,20?,23-/m0/s1
|
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| InChIKey |
FSXMOAXUKSPGCO-MIWZRYNRSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Estradiol 17 beta-dehydrogenase 1 | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Estradiol biosynthesis I | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| NetPath Pathway | FSH Signaling Pathway | ||||
| PANTHER Pathway | Androgen/estrogene/progesterone biosynthesis | ||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| Reactome | The canonical retinoid cycle in rods (twilight vision) | ||||
| WikiPathways | Steroid Biosynthesis | ||||
| Metabolism of steroid hormones and vitamin D | |||||
| Prostate Cancer | |||||
| References | |||||
| REF 1 | J Med Chem. 2006 Feb 23;49(4):1325-45.Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. | ||||
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