Compound Detail
CHEMBL6318
IDOXIFENE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL6318 |
| Name | IDOXIFENE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JJKOTMDDZAJTGQ-DQSJHHFOSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
14
Publications
7
Known Names
1
Mechanisms
Molecular Properties
523.5
MW (Da)
7.13
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor modulator | MODULATOR | Estrogen receptor | ✓ | ✓ |
Activity Summary
IC50 5 meas. best 8.12
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ishikawa CHEMBL614649 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ishikawa | EC50 | = | 7.0 | nM | 8.15 | Stimulation of alkaline phosphatase activity in Ishikawa human endometrial adeno... | 11738564 |
| Estrogen receptor | IC50 | = | 7.5 | nM | 8.12 | Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine t... | 11738564 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Antagonism of calmodulin dependent cAMP Phosphodiesterase | - |
| Phosphodiesterase 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory activity against calmodulin-dependent Phosphodiesterase was reported. | 8632423 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of calmodulin-dependent Phosphodiesterase | 7830266 |
| MCF7 | IC50 | = | 7300.0 | nM | 5.14 | In vitro cytotoxicity against hormone-responsive MCF-7 cell line. | 7830266 |
| Unchecked | EC50 | = | 10700.0 | nM | 4.97 | Chaperone activity at GCase L444P GBA gene mutant in human fibroblasts derived f... | 31757667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17904372 | 10.1016/j.bmc.2007.09.008 | HL-60 | 6 |
| 2585441 | 10.1021/jm00132a006 | MCF7 | 3 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 8632423 | 10.1021/jm9505472 | Phosphodiesterase 1 | 2 |
| 11738564 | 10.1016/s0960-894x(01)00679-5 | Ishikawa | 2 |
| 31757667 | 10.1016/j.bmcl.2019.126806 | Unchecked | 2 |
| - | 10.1016/0960-894X(95)00117-C | Unchecked | 1 |
| - | 10.1016/0960-894X(95)00117-C | Estrogen receptor | 1 |
| 8632423 | 10.1021/jm9505472 | Estrogen receptor | 1 |
| 2585441 | 10.1021/jm00132a006 | Estrogen receptor | 1 |
| 11738564 | 10.1016/s0960-894x(01)00679-5 | Estrogen receptor | 1 |
| 7830266 | 10.1021/jm00002a005 | Unchecked | 1 |
| 7830266 | 10.1021/jm00002a005 | Estrogen receptor | 1 |
| 7830266 | 10.1021/jm00002a005 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine