DIENESTROL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G03CB01 G03CC02
UNII RRW32X4U1F
EPA CompTox DTXSID20873495

Structure

InChI Key NFDFQCUYFHCNBW-SCGPFSFSSA-N
Smiles C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1
InChI
InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18O2
Molecular Weight 266.34
AlogP 4.6
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor alpha agonist AGONIST ISBN PubMed
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
- - - - 48.7-61.94
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 48.7-61.94

Target Conservation

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

Cross References

Resources Reference
ChEBI 4518
ChEMBL CHEMBL1018
DrugBank DB00890
DrugCentral 870
FDA SRS RRW32X4U1F
Guide to Pharmacology 7160
KEGG C08090
PubChem 667476
SureChEMBL SCHEMBL52170
ZINC ZINC000000001283
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