Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0R6DT
|
|||
| Former ID |
DNC003339
|
|||
| Drug Name |
Equilin
|
|||
| Synonyms |
equilin; 7-Dehydroestrone; 474-86-2; Dihydroequilenin; 3-HYDROXYESTRA-1,3,5(10),7-TETRAEN-17-ONE; 1,3,5,7-Estratetraen-3-ol-17-one; Equilin [USP]; UNII-08O86EX0J4; MLS000028624; CHEBI:42309; WKRLQDKEXYKHJB-HFTRVMKXSA-N; 08O86EX0J4; Equilin (USP); SMR000058656; 3-hydroxy-estra-1,3,5(10),7tetraen-17-one; Estra-1,3,5(10),7-tetraen-17-one,3-hydroxy-; CCRIS 9074; EINECS 207-488-6; NSC 10971; BRN 2624302; (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C18H20O2
|
|||
| Canonical SMILES |
CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O
|
|||
| InChI |
1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
|
|||
| InChIKey |
WKRLQDKEXYKHJB-HFTRVMKXSA-N
|
|||
| CAS Number |
CAS 474-86-2
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
76023, 7887348, 8139975, 9377718, 10318998, 10321319, 11466878, 11467998, 11486496, 14714964, 15221806, 17395392, 30426527, 46506633, 46530457, 47206005, 47515354, 47515355, 47662327, 47810794, 49698662, 50124119, 50349598, 56422880, 57400017, 72794226, 85083119, 85787335, 92125805, 95613351, 103308722, 103913799, 113476960, 121363476, 124582936, 124800354, 129595529, 134973142, 137066005, 141003814, 144212958, 160965398, 162858348, 164152419, 164815975, 164841026, 175612028, 176267054, 179149000, 184575703
|
|||
| ChEBI ID |
CHEBI:42309
|
|||
| 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 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.