Compound Detail
CHEMBL301327
LEVORMELOXIFENE 🧪 Phase II
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🧪 Phase II
COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL301327 |
| Name | LEVORMELOXIFENE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XZEUAXYWNKYKPL-WDYNHAJCSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
11
Publications
4
Known Names
Molecular Properties
457.6
MW (Da)
6.26
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
EC50 1 meas. best 7.89
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ishikawa CHEMBL614649 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ishikawa | EC50 | = | 13.0 | nM | 7.89 | Stimulation of alkaline phosphatase activity in Ishikawa human endometrial adeno... | 11738564 |
| Estrogen receptor | IC50 | = | 73.0 | nM | 7.14 | Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine t... | 11738564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8126710 | 10.1021/jm00031a020 | Estrogen receptor | 4 |
| 1249807 | 10.1021/jm00224a014 | Rattus norvegicus | 4 |
| 26789657 | 10.1021/acs.jmedchem.5b01696 | Delta(24)-sterol reductase | 4 |
| 11738564 | 10.1016/s0960-894x(01)00679-5 | Ishikawa | 2 |
| - | 10.1016/0960-894X(96)00309-5 | Estrogen receptor | 2 |
| 26789657 | 10.1021/acs.jmedchem.5b01696 | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 2 |
| - | 10.1016/S0960-894X(97)00379-X | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(97)00379-X | Estrogen receptor | 1 |
| 11738564 | 10.1016/s0960-894x(01)00679-5 | Estrogen receptor | 1 |
| 26789657 | 10.1021/acs.jmedchem.5b01696 | ADMET | 1 |
| 26789657 | 10.1021/acs.jmedchem.5b01696 | Fibroblast | 1 |
Data from ChEMBL 36 via Core Engine