DIENESTROL

Search structure
Trade Names:
Synonyms:
DV
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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 11.77
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.77-2.33
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
13241.54 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 48.7
Unclassified protein
- 25600 - - -

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
CONTENTS