EcoDrugPlus


Synonyms	Fispemifene HM-101 HM-101a
Status
Molecule Category	Free-form
UNII	3VZ2833V08

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SubStructure

Threshold (%) >= 70


InChI Key	NKZTZAQIKKGTDB-QPLCGJKRSA-N
Smiles	OCCOCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChI	InChI=1S/C26H27ClO3/c27-16-15-25(21-7-3-1-4-8-21)26(22-9-5-2-6-10-22)23-11-13-24(14-12-23)30-20-19-29-18-17-28/h1-14,28H,15-20H2/b26-25-

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H27ClO3
Molecular Weight	422.95
AlogP	5.66
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	11.0
Polar Surface Area	38.69
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	30.0

Mechanism of Action	Action	Reference
Estrogen receptor modulator	MODULATOR	PubMed Other

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
ChEMBL	CHEMBL2107341
DrugBank	DB06640
FDA SRS	3VZ2833V08
PubChem	9954033
SureChEMBL	SCHEMBL945795

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

FISPEMIFENE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References