TAMOXIFEN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC L02BA01
UNII 094ZI81Y45
EPA CompTox DTXSID1034187

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
Number of Rotational Bond 8.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6
- - - 900 -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - 200 -
Enzyme Isomerase
- 12 1 5 -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 21-52
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- - - - 27-52
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- - - - 27-52
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- - - - 27-52
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family
- - - - 21-52
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - - - 27-52
Enzyme Oxidoreductase
- 12 1 - 3.2-8.9
Membrane receptor
- - - 35 -
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
- 1.5-904 - 11.9-157 0-100
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
- 79.7-904 - 0.51-157 0-100
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group B Nuclear hormone receptor subfamily 3 group B member 1
- 200 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group B Nuclear hormone receptor subfamily 3 group B member 3
- 62.2 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
- 128.82 - - -
Transcription factor
- 1.5-904 - 0.51-157 0-100
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 11-38.1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 72.1
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - 100 -
Unclassified protein
- - - 2.8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Aliivibrio fischeri
- - - - 53-73.6
Cavia porcellus
- - - 35 -
Cricetulus griseus
- - - 100 -
Ebolavirus
- 730 - - -
Homo sapiens
0.11-33 1.5-904 - 2.8-900 3.2-100.8
Mus musculus
- 535 - - 0-100
Rattus norvegicus
- - - - 0-109
Zaire ebolavirus
- 100 - - -

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