Compound Detail
CHEMBL226267
ARZOXIFENE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL226267 |
| Name | ARZOXIFENE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | MCGDSOGUHLTADD-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
1
PK Parameters
8
Publications
4
Known Names
4
Indications
1
Mechanisms
Molecular Properties
475.6
MW (Da)
6.94
ALogP
6
HBA
1
HBD
51.2
PSA (Ų)
0.30
QED
1
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 | ✓ | ✓ |
Indications
Breast Neoplasms Breast Neoplasms Osteoporosis, Postmenopausal Osteoporosis
Activity Summary
IC50 6 meas. best 9.52
EC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 7.67 | 7.525 | 21.5 | 2 |
| Estrogen receptor beta CHEMBL242 | IC50 | 7.18 | 6.9 | 66.3 | 2 |
| MCF7 CHEMBL387 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 50000.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 0.2 | nM | 9.7 | Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs... | 25879485 |
| Unchecked | IC50 | = | 0.3 | nM | 9.52 | Antagonist activity at estrogen receptor in human MCF7 cells assessed as inhibit... | 25879485 |
| Estrogen receptor | IC50 | = | 21.5 | nM | 7.67 | Displacement of [3H]estradiol from human recombinant ERalpha | 17489582 |
| Estrogen receptor | IC50 | = | 42.0 | nM | 7.38 | Displacement of [3H]-E2 from estrogen receptor-alpha (unknown origin) by scintil... | 25879485 |
| Estrogen receptor beta | IC50 | = | 66.3 | nM | 7.18 | Displacement of [3H]estradiol from human recombinant ERbeta | 17489582 |
| Estrogen receptor beta | IC50 | = | 240.0 | nM | 6.62 | Displacement of [3H]-E2 from estrogen receptor-beta (unknown origin) by scintill... | 25879485 |
| MCF7 | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human MCF7 cells assessed as cell viability after 5 days by... | 25879485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25879485 | 10.1021/acs.jmedchem.5b00054 | Estrogen receptor | 4 |
| 25879485 | 10.1021/acs.jmedchem.5b00054 | MCF7 | 4 |
| 17489582 | 10.1021/jm070079j | Estrogen receptor | 2 |
| 17489582 | 10.1021/jm070079j | Estrogen receptor beta | 2 |
| 17489582 | 10.1021/jm070079j | Unchecked | 1 |
| 25879485 | 10.1021/acs.jmedchem.5b00054 | Estrogen receptor beta | 1 |
| 25879485 | 10.1021/acs.jmedchem.5b00054 | Unchecked | 1 |
| 25879485 | 10.1021/acs.jmedchem.5b00054 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine