TAMOXIFEN


Synonyms	ICI-46474 ICI-47699 Mammaton NSC-727681 Nolvadex Novaldex Soltamox Tamoplex Tamoxifen
Status
Molecule Category	Free-form
ATC	L02BA01
UNII	094ZI81Y45
EPA CompTox	DTXSID1034187


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	NKANXQFJJICGDU-QPLCGJKRSA-N
Smiles	CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChI	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H29NO
Molecular Weight	371.52
AlogP	6.0
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	8.0
Polar Surface Area	12.47
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	28.0

Related Entries

Cross References

Resources	Reference
ChEBI	41774
ChEMBL	CHEMBL83
DrugBank	DB00675
DrugCentral	2561
FDA SRS	094ZI81Y45
Human Metabolome Database	HMDB0014813
Guide to Pharmacology	5384
KEGG	C07108
PDB	CTX
PharmGKB	PA451581
PubChem	2733526
SureChEMBL	SCHEMBL4084
ZINC	ZINC000001530689

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).