DIETHYLSTILBESTROL

Search structure
Trade Names:
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G03CB02
UNII: 731DCA35BT

Structure
InChI Key RGLYKWWBQGJZGM-ISLYRVAYSA-N
Smile CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1
InChI
InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20O2
Molecular Weight 268.36
AlogP 4.83
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
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 PubMed
Primary Target
Estrogen receptor-α
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 14000 - - -
Enzyme Isomerase
- 75000 - - -
Enzyme Oxidoreductase
- 460 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 30
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
- 14600 - - -
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
0-12 0-770 - 0-0
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
0-9 4-610 - 0-0 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group B Nuclear hormone receptor subfamily 3 group B member 3
630 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 14125 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 31-46
Transporter Primary active transporter P-type ATPase Calcium ATPase
- 14000 - - -

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 56-53-1
ChEBI 41922
ChEMBL CHEMBL411
DrugBank DB00255
DrugCentral 875
EPA CompTox DTXSID3020465
FDA SRS 731DCA35BT
Guide to Pharmacology 2801
KEGG C07620
PDB DES
PharmGKB PA449307
PubChem 448537
SureChEMBL SCHEMBL9223
ZINC ZINC000000001290
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