Compound Detail
CHEMBL14955
DIHYDRORALOXIFENE Enter ChEMBL ID:
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O=C(c1ccc(OCCN2CCCCC2)cc1)[C@H]1c2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL14955 |
| Name | DIHYDRORALOXIFENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKZMTNSYXDOFJH-IXCJQBJRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
5.78
ALogP
6
HBA
2
HBD
70.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.52 | nM | 9.28 | Inhibition of 17-beta-estradiol (10e-11 M) mediated MCF-7 cell proliferation | 10328300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10328300 | 10.1016/s0960-894x(99)00145-6 | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine