DIETHYLSTILBESTROL

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Search structure


Trade Names	DIETHYLSTILBESTROL STILBESTROL STILBETIN
Synonyms	Apstil Cyren a Diethylstilbestrol Distilbene Estrobene Estrogenine Estromenin Fonatol NSC-3070 New-estranol 1 Palestrol Stilbestro Stilbestroform Stilbestrol Stilbetin
Status
Molecule Category	Free-form
ATC	G03CB02 G03CC05 L02AA01
UNII	731DCA35BT
EPA CompTox	DTXSID3020465

Structure


InChI Key	RGLYKWWBQGJZGM-ISLYRVAYSA-N
Smiles	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

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action	Action	Reference
Estrogen receptor alpha agonist	AGONIST	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	460	-	-	-
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	30.1
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	0.007-12	0.33-770	-	0.126-0.49
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	0.02-9	4-610	-	0.126-0.63	-
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	-	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	31.1-68.1

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	-	30.1
Cricetulus griseus	-	-	-	-	45.56
Homo sapiens	0.007-630	0.77-770	-	0.126-0.63	-6-68.1

Target Conservation


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

Cross References

Resources	Reference
ChEBI	41922
ChEMBL	CHEMBL411
DrugBank	DB00255
DrugCentral	875
FDA SRS	731DCA35BT
Guide to Pharmacology	2801
KEGG	C07620
PDB	DES
PharmGKB	PA449307
PubChem	448537
SureChEMBL	SCHEMBL9223
ZINC	ZINC000000001290

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025