ESTRADIOL VALERATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII OKG364O896
EPA CompTox DTXSID8023004
Parent Compound: ESTRADIOL

Structure

InChI Key RSEPBGGWRJCQGY-RBRWEJTLSA-N
Smiles CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
InChI
InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32O3
Molecular Weight 356.51
AlogP 5.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor alpha agonist AGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 129.79-291.52
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 129.79-291.52

Target Conservation

Protein: Estrogen receptor alpha
Description: Estrogen receptor
Organism : Homo sapiens
P03372 ENSG00000091831

Cross References

Resources Reference
ChEBI 31561
ChEMBL CHEMBL1511
DrugBank DB13956
DrugCentral 1064
FDA SRS OKG364O896
Guide to Pharmacology 7655
KEGG C12859
PubChem 13791
SureChEMBL SCHEMBL40563
ZINC ZINC000003881556
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