Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08WDY
|
|||
| Former ID |
DNC002937
|
|||
| Drug Name |
Equilenin
|
|||
| Synonyms |
EQUILENIN; 517-09-9; UNII-W8FTJ17C4J; 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one; W8FTJ17C4J; Equilenina [Spanish]; 3-hydroxy-estra-1,3,5(10),6,8-pentaen-17-one; CCRIS 9075; Equilenin solution; EINECS 208-230-5; (13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one; BRN 2335367; EQU; 3-Hydroxyoestra-1,3,5(10),6,8-pentaen-17-one; 1ogz; 1ogx; 1w6y; AC1L9H0U; 4-08-00-01420 (Beilstein Handbook Reference); SCHEMBL120922; CHEMBL225546; DTXSID2052156; CTK8F9475; ZINC393154; LMST02010007; BDBM50423545
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C18H18O2
|
|||
| Canonical SMILES |
CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O
|
|||
| InChI |
1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1
|
|||
| InChIKey |
PDRGHUMCVRDZLQ-WMZOPIPTSA-N
|
|||
| CAS Number |
CAS 517-09-9
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
820980, 828639, 828643, 828644, 836042, 854746, 855191, 7887350, 10299594, 14714955, 15197222, 15925964, 17395303, 24860441, 26710297, 36887747, 46392780, 46393462, 46509080, 53812543, 57404643, 57648900, 74374181, 79734085, 81060992, 87226001, 87226002, 92192448, 103513880, 104231780, 104633042, 119525954, 125264324, 125264325, 125264326, 125333153, 125333154, 126722978, 126722980, 128900977, 134976304, 137248839, 160966631, 163134380, 164152420, 176265493, 179316938, 198951559, 223438441, 223466302
|
|||
| ChEBI ID |
CHEBI:34739
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Hydroxysteroid dehydrogenase 3-beta (HSD3B) | Target Info | Inhibitor | [1] |
| 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.