Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D08CXO
|
||||
| Former ID |
DNC006172
|
||||
| Drug Name |
N-isopropyl estradiol-16-carboxamide
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C22H31NO3
|
||||
| Canonical SMILES |
CC(C)NC(=O)C1CC2C3CCC4=C(C3CCC2(C1O)C)C=CC(=C4)O
|
||||
| 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
|
||||
| InChIKey |
MIXZPWBCEXVAQM-GFEBWMDQSA-N
|
||||
| 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. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.