EcoDrugPlus


Synonyms	Cisclomiphene Clomiphene trans-form Enclomifene Enclomiphene ICI-46476 ISOMER B ISOMER-B Isomer B Milophene RMI 16,289 RMI-16289 Rmi-16,289 Serophene
Status
Molecule Category	Free-form
UNII	R6D2UI4FLS

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SubStructure

Threshold (%) >= 70


InChI Key	GKIRPKYJQBWNGO-OCEACIFDSA-N
Smiles	CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1
InChI	InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H28ClNO
Molecular Weight	405.97
AlogP	6.56
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	12.47
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	29.0

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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Isomerase	-	-	-	1-160	-
Membrane receptor	-	-	-	8	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	8	-
Homo sapiens	-	-	-	1	-
Saccharomyces cerevisiae	-	-	-	160	-

Target Conservation


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

Cross References

Resources	Reference
ChEMBL	CHEMBL954
DrugBank	DB06735
FDA SRS	R6D2UI4FLS
Guide to Pharmacology	7619
PDB	53Q
PubChem	1548953
SureChEMBL	SCHEMBL34893
ZINC	ZINC000001530601

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

ENCLOMIPHENE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References