Molecule Details
InChIKeyNKANXQFJJICGDU-QPLCGJKRSA-N
Compound NameTamoxifen
Canonical SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)35
Pfam Stratification Cross-Family
Avg pChEMBL6.66
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00675
Drug NameTamoxifen
CAS Number10540-29-1
Groups approved investigational
ATC Codes L02BA01
DescriptionTamoxifen is a non-steroidal antiestrogen used to treat estrogen receptor positive breast cancers as well as prevent the incidence of breast cancer in high risk populations.[A1025,L7799,L7802] Tamoxifen is used alone or as an adjuvant in these treatments.[L7799,L7802] Tamoxifen may no longer be the ...

Categories: Anti-Estrogens Antineoplastic Agents Antineoplastic Agents, Hormonal Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Substrates BSEP/ABCB11 Inhibitors Benzene Derivatives Benzylidene Compounds Cardiotoxic antineoplastic agents Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (moderate) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Endocrine Therapy Estrogen Agonist/Antagonist Estrogen Antagonists Estrogen Receptor Modulators Hormone Antagonists Hormone Antagonists and Related Agents Hormones, Hormone Substitutes, and Hormone Antagonists Narrow Therapeutic Index Drugs P-glycoprotein inducers P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Potential QTc-Prolonging Agents QTc Prolonging Agents Selective Estrogen Receptor Modulators Stilbenes Thyroxine-binding globulin inducers UGT2B17 substrates UGT2B7 Substrates with a Narrow Therapeutic Index UGT2B7 substrates
Cross-references: BindingDB: 20607 ChEBI: 41774 CHEMBL83 ChemSpider: 2015313 Drugs Product Database (DPD): 11164 Guide to Pharmacology: 1016 IUPHAR: 1016 C07108 D08559 PDB: CTX PharmGKB: PA451581 PubChem:2733526 PubChem:46505515 RxCUI: 10324 Therapeutic Targets Database: DAP000108 Wikipedia: Tamoxifen ZINC: ZINC000001530689
Target Activities (35)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9UBM7 DHCR7 Homo sapiens Human PF01222 9.0 Kd ChEMBL;BindingDB
Q9BY08 EBPL Homo sapiens Human PF05241 8.6 Ki ChEMBL;BindingDB
Q15125 EBP Homo sapiens Human PF05241 8.3 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.9 pIC50 TTD_MultiTarget
Q99720 SIGMAR1 Homo sapiens Human PF04622 7.6 Ki ChEMBL;BindingDB
P62508 ESRRG Homo sapiens Human PF00104 PF00105 7.2 IC50 ChEMBL;BindingDB
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 7.2 IC50 ChEMBL;BindingDB
P08183 ABCB1 Homo sapiens Human PF00664 PF00005 7.0 Ki ChEMBL;BindingDB
P35348 ADRA1A Homo sapiens Human PF00001 7.0 pIC50 TTD_MultiTarget
P06401 PGR Homo sapiens Human PF00104 PF02161 PF00105 6.9 IC50 ChEMBL;BindingDB
Q92731 ESR2 Homo sapiens Human PF12497 PF00104 PF00105 6.8 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.7 Ki ChEMBL;BindingDB
P11474 ESRRA Homo sapiens Human PF00104 PF00105 6.7 IC50 ChEMBL;BindingDB
P28335 HTR2C Homo sapiens Human PF00001 6.5 IC50 ChEMBL
P35462 DRD3 Homo sapiens Human PF00001 6.4 Ki ChEMBL
P20309 CHRM3 Homo sapiens Human PF00001 6.2 Ki ChEMBL
P08173 CHRM4 Homo sapiens Human PF00001 6.2 Ki ChEMBL
P11229 CHRM1 Homo sapiens Human PF00001 6.2 Ki ChEMBL
P08913 ADRA2A Homo sapiens Human PF00001 6.1 Ki ChEMBL
Q12809 KCNH2 Homo sapiens Human PF00027 PF00520 PF13426 6.1 IC50 ChEMBL
P20813 CYP2B6 Homo sapiens Human PF00067 6.0 Ki ChEMBL;BindingDB
P24557 TBXAS1 Homo sapiens Human PF00067 6.0 IC50 ChEMBL
O94806 PRKD3 Homo sapiens Human PF00130 PF00169 PF00069 PF25525 6.0 IC50 ChEMBL
P05129 PRKCG Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.0 IC50 ChEMBL
P05771 PRKCB Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.0 IC50 ChEMBL
P17252 PRKCA Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.0 IC50 ChEMBL
P24723 PRKCH Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.0 IC50 ChEMBL
P41743 PRKCI Homo sapiens Human PF00130 PF00564 PF00069 PF00433 6.0 IC50 ChEMBL
Q02156 PRKCE Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.0 IC50 ChEMBL
Q04759 PRKCQ Homo sapiens Human PF00130 PF21494 PF00069 PF00433 6.0 IC50 ChEMBL
Q05513 PRKCZ Homo sapiens Human PF00130 PF00564 PF00069 PF00433 6.0 IC50 ChEMBL
Q05655 PRKCD Homo sapiens Human PF00130 PF21494 PF00069 PF00433 6.0 IC50 ChEMBL
Q15139 PRKD1 Homo sapiens Human PF00130 PF00169 PF00069 PF25525 6.0 IC50 ChEMBL
P04626 ERBB2 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 Clinical TTD_MultiTarget TTD_MultiTarget
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 7.9 pIC50 TTD_MultiTarget
DrugBank Target Actions (50)
Target Gene Target Name Action Type
P05543 P05543 Thyroxine-binding globulin inducer carriers
P02768 ALB Albumin substrate carriers
P08684 CYP3A4 Cytochrome P450 3A4 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11511 CYP19A1 Aromatase inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P23141 CES1 Liver carboxylesterase 1 inhibitor enzymes
Q16678 CYP1B1 Cytochrome P450 1B1 inhibitor enzymes
O75795 O75795 UDP-glucuronosyltransferase 2B17 substrate enzymes
P04798 CYP1A1 Cytochrome P450 1A1 substrate enzymes
P05177 CYP1A2 Cytochrome P450 1A2 substrate enzymes
P05181 CYP2E1 Cytochrome P450 2E1 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P11509 CYP2A6 Cytochrome P450 2A6 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P16662 UGT2B7 UDP-glucuronosyltransferase 2B7 substrate enzymes
P20813 CYP2B6 Cytochrome P450 2B6 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P24462 CYP3A7 Cytochrome P450 3A7 substrate enzymes
P31513 P31513 Flavin-containing monooxygenase 3 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P49888 P49888 Sulfotransferase 1E1 substrate enzymes
P50225 SULT1A1 Sulfotransferase 1A1 substrate enzymes
Q01740 Q01740 Flavin-containing monooxygenase 1 substrate enzymes
Q06520 SULT2A1 Sulfotransferase 2A1 substrate enzymes
Q16678 CYP1B1 Cytochrome P450 1B1 substrate enzymes
Q9HAW8 Q9HAW8 UDP-glucuronosyltransferase 1A10 substrate enzymes
O75469 NR1I2 Nuclear receptor subfamily 1 group I member 2 agonist targets
P03372 ESR1 Estrogen receptor agonist targets
Q92731 ESR2 Estrogen receptor beta agonist targets
P03372 ESR1 Estrogen receptor antagonist targets
P10275 AR Androgen receptor antagonist targets
Q92731 ESR2 Estrogen receptor beta antagonist targets
P62508 ESRRG Estrogen-related receptor gamma binder targets
P04278 SHBG Sex hormone-binding globulin inducer targets
P17252 PRKCA Protein kinase C inhibitor targets
Q12809 KCNH2 Voltage-gated inwardly rectifying potassium channel KCNH2 inhibitor targets
Q15125 EBP 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase inhibitor targets
P45983 MAPK8 Mitogen-activated protein kinase 8 modulator targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inducer transporters
O95342 ABCB11 Bile salt export pump inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
O95477 O95477 Phospholipid-transporting ATPase ABCA1 substrate transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters
Q92887 ABCC2 ATP-binding cassette sub-family C member 2 substrate transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 substrate transporters