EcoDrugPlus


Synonyms	16.ALPHA.-HYDROXYESTRADIOL 16.alpha.,17.beta.-estriol Aacifemine Colpogyn Estriol Estriol acetate benzoate Estriol propionate Estriol succinate Gynest Incurin NSC-12169 Oestriol Ortho-gynest Ovestin Theelol
Status
Molecule Category	Free-form
ATC	G03CA04 G03CC06
UNII	FB33469R8E
EPA CompTox	DTXSID9022366

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Bioactive chemicals

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Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	PROQIPRRNZUXQM-ZXXIGWHRSA-N
Smiles	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O
InChI	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H24O3
Molecular Weight	288.39
AlogP	2.58
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Polar Surface Area	60.69
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	21.0

Mechanism of Action	Action	Reference
Estrogen receptor modulator	MODULATOR	PubMed Other PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	29.5
Secreted protein	-	-	234.42	-	-
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	1.995	-	-	-	-
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	0.1259	-	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	102.73-110.17

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	102.73-110.17
Homo sapiens	0.0483-1.995	-	234.42	-	29.5

Target Conservation


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












Protein: Estrogen receptor Description: Estrogen receptor beta Organism : Homo sapiens Q92731 ENSG00000140009

Cross References

Resources	Reference
ChEBI	27974
ChEMBL	CHEMBL193482
DrugBank	DB04573
DrugCentral	3187
FDA SRS	FB33469R8E
Human Metabolome Database	HMDB0000153
Guide to Pharmacology	2821
PDB	ESL
PharmGKB	PA164769104
PubChem	5756
SureChEMBL	SCHEMBL78033
ZINC	ZINC000003815418

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ESTRIOL

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References