Compound Detail
CHEMBL786
TAMOXIFEN CITRATE 💊 Approved Drug
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💊 Approved Drug
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL786 |
| Name | TAMOXIFEN CITRATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL83 |
| Active Moiety | CHEMBL4525767 |
11
Targets
28
Activities
1
Assay Types
0
PK Parameters
20
Publications
29
Known Names
20
Indications
1
Mechanisms
Molecular Properties
371.5
MW (Da)
6.00
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1977 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor alpha modulator | MODULATOR | Estrogen receptor | ✓ | ✓ |
Indications
Breast Neoplasms Breast Neoplasms Bipolar Disorder Carcinoma, Intraductal, Noninfiltrating Carcinoma, Ovarian Epithelial Endometrial Neoplasms Endometrial Neoplasms Endometrial Neoplasms Fallopian Tube Neoplasms Inflammatory Breast Neoplasms Liver Neoplasms Peritoneal Neoplasms Breast Neoplasms, Male Central Nervous System Neoplasms Desmoid Tumors Hereditary Breast and Ovarian Cancer Syndrome Melanoma Neoplasms Paraganglioma Urinary Bladder Neoplasms
Drug Warnings
Black Box Warning
carcinogenicity
Black Box Warning
vascular toxicity
Black Box Warning
neurotoxicity
Black Box Warning
respiratory toxicity
Black Box Warning
immune system toxicity
Activity Summary
IC50 28 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.1 | 5.236 | 796.0 | 5 |
| Estrogen receptor CHEMBL206 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 4.9714 | 7943.3 | 7 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.05 | 4.76 | 8980.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.97 | 4.88 | 10710.0 | 4 |
| DU-145 CHEMBL613508 | IC50 | 4.95 | 4.885 | 11200.0 | 2 |
| PC-3 CHEMBL390 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
| Ishikawa CHEMBL614649 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.56 | 4.54 | 27300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 10 |
| 6492074 | 10.1021/jm00377a011 | Rattus norvegicus | 9 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 9 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| 32947093 | 10.1016/j.ejmech.2020.112813 | MCF7 | 7 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 7 |
| - | 10.1007/s00044-010-9442-y | Rattus norvegicus | 3 |
| - | 10.1007/s00044-010-9442-y | MCF7 | 3 |
| 28882502 | 10.1016/j.bmc.2017.07.067 | MCF7 | 3 |
| 36702053 | 10.1016/j.ejmech.2023.115130 | No relevant target | 3 |
| - | 10.1101/2020.03.25.008482 | Vero C1008 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.1101/2020.03.25.008482 | ADMET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.1101/2020.03.25.008482 | SARS-CoV-2 | 2 |
| 32947093 | 10.1016/j.ejmech.2020.112813 | Unchecked | 2 |
| 15509181 | 10.1021/jm040112r | KB | 2 |
| 15509181 | 10.1021/jm040112r | SW-620 | 1 |
| 15509181 | 10.1021/jm040112r | PC-3 | 1 |
| 36702053 | 10.1016/j.ejmech.2023.115130 | Fibroblast | 1 |
Data from ChEMBL 36 via Core Engine