Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08CXO
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| Former ID |
DNC006172
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| Drug Name |
N-isopropyl estradiol-16-carboxamide
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| Synonyms |
SCHEMBL12379487
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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 |
C22H31NO3
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| Canonical SMILES |
CC(C)NC(=O)C1CC2C3CCC4=C(C3CCC2(C1O)C)C=CC(=C4)O
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| InChI |
1S/C22H31NO3/c1-12(2)23-21(26)18-11-19-17-6-4-13-10-14(24)5-7-15(13)16(17)8-9-22(19,3)20(18)25/h5,7,10,12,16-20,24-25H,4,6,8-9,11H2,1-3H3,(H,23,26)/t16?,17?,18?,19?,20-,22-/m0/s1
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| InChIKey |
MIXZPWBCEXVAQM-GFEBWMDQSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. J Med Chem. 2006 Feb 23;49(4):1325-45. | |||
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