DIENESTROL

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Trade Names:
Synonyms:
Status: Approved (1947)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G03CB01
UNII: RRW32X4U1F

Structure
InChI Key NFDFQCUYFHCNBW-SCGPFSFSSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Estrogen receptor alpha 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
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Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 13029-44-2
ChEBI 4518
ChEMBL CHEMBL1018
DrugBank DB00890
DrugCentral 870
EPA CompTox DTXSID20873495
FDA SRS RRW32X4U1F
Guide to Pharmacology 7160
KEGG C08090
PubChem 667476
SureChEMBL SCHEMBL52170
ZINC ZINC000000001283
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