EcoDrugPlus


Synonyms	Acapodene Chlortamoxifen Farestone GTX-006 J33.157K Toremifene Toremiphene
Status
Molecule Category	Free-form
ATC	L02BA02
UNII	7NFE54O27T
EPA CompTox	DTXSID3023689


InChI Key	XFCLJVABOIYOMF-QPLCGJKRSA-N
Smiles	CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChI	InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-

Property Name	Value
Molecular Formula	C26H28ClNO
Molecular Weight	405.97
AlogP	6.22
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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Unclassified protein	62.8-62.8	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ebola virus - Zaire (1995)	-	840	-	-	-
Ebolavirus	62.8-970	26-566	-	-	-
Zaire ebolavirus	670	70	-	-	-

Resources	Reference
ChEBI	9635
ChEMBL	CHEMBL1655
DrugBank	DB00539
DrugCentral	2709
FDA SRS	7NFE54O27T
Human Metabolome Database	HMDB0014679
Guide to Pharmacology	4325
KEGG	C08166
PDB	T0R
PharmGKB	PA451731
PubChem	3005573
SureChEMBL	SCHEMBL7465
ZINC	ZINC000012404516

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

TOREMIFENE

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Pharmacology

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