ESTRADIOL CYPIONATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 7E1DV054LO
EPA CompTox DTXSID4022999
Parent Compound: ESTRADIOL

Structure

InChI Key UOACKFBJUYNSLK-XRKIENNPSA-N
Smiles C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
InChI
InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H36O3
Molecular Weight 396.57
AlogP 6.13
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 29.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor alpha agonist AGONIST DailyMed Wikipedia
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
- - - - 81.59-90.49
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 81.59-90.49

Target Conservation

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

Cross References

Resources Reference
ChEBI 34745
ChEMBL CHEMBL1200973
DrugBank DB13954
DrugCentral 1059
FDA SRS 7E1DV054LO
KEGG C14640
PubChem 9403
SureChEMBL SCHEMBL41551
ZINC ZINC000003876078
CONTENTS