Compound Detail
CHEMBL1093458
ENDOXIFEN 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL1093458 |
| Name | ENDOXIFEN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | MHJBZVSGOZTKRH-IZHYLOQSSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
6
Indications
Molecular Properties
373.5
MW (Da)
5.36
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Bipolar Disorder Breast Neoplasms Breast Neoplasms Carcinoma, Intraductal, Noninfiltrating Hemangiosarcoma Neoplasms
Activity Summary
IC50 7 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.54 | 7.27 | 29.0 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3050.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 5.22 | 5.2167 | 6000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 29.0 | nM | 7.54 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 38911170 |
| Estrogen receptor | IC50 | = | 30.0 | nM | 7.52 | Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarizat... | 34364162 |
| MCF7 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 34364162 |
| Unchecked | IC50 | = | 3050.0 | nM | 5.52 | Inhibition of Ebolavirus glycoprotein/matrix protein VP40 entry in human HeLa ce... | 29624387 |
| Aromatase | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of human recombinant placental aromatase | 23731360 |
| Aromatase | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of human placental microsomal aromatase using testosterone as substra... | 26689671 |
| Aromatase | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of recombinant human aromatase preincubated for 10 mins followed by s... | 30822713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21777996 | 10.1016/j.ejmech.2011.07.005 | Albumin | 8 |
| 21148080 | 10.1124/dmd.110.036160 | ADMET | 6 |
| 21148080 | 10.1124/dmd.110.036160 | ATP-dependent translocase ABCB1 | 6 |
| 24805199 | 10.1021/jm500569h | Estrogen receptor | 4 |
| 20227879 | 10.1016/j.bmcl.2010.02.024 | Unchecked | 3 |
| 29624387 | 10.1021/acs.jmedchem.8b00035 | Unchecked | 3 |
| 30822713 | 10.1016/j.ejmech.2019.02.045 | Aromatase | 3 |
| 21148080 | 10.1124/dmd.110.036160 | Brain | 3 |
| 34364162 | 10.1016/j.ejmech.2021.113733 | Estrogen receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 21148080 | 10.1124/dmd.110.036160 | Liver | 2 |
| 21148080 | 10.1124/dmd.110.036160 | Plasma | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 24332630 | 10.1016/j.bmcl.2013.11.078 | MCF7 | 1 |
| 24805199 | 10.1021/jm500569h | Unchecked | 1 |
| 23731360 | 10.1021/jm400364h | Aromatase | 1 |
| 20334368 | 10.1021/jm901907u | Molecular identity unknown | 1 |
| 38911170 | 10.1039/d3md00632h | MCF7 | 1 |
| 26003343 | 10.1016/j.bmc.2015.05.002 | MCF7 | 1 |
| 20227879 | 10.1016/j.bmcl.2010.02.024 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine