Compound Detail
CHEMBL44812
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Basic Information
| ChEMBL ID | CHEMBL44812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVQCSLFQMUEDOR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
6.36
ALogP
5
HBA
1
HBD
49.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 5.0 | nM | 8.3 | Antagonism of estrogen action in a mammary tumor cell line was assayed via inhib... | 9003514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00575-E | Estrogen receptor | 6 |
| 9003514 | 10.1021/jm9606352 | Rattus norvegicus | 6 |
| 9003514 | 10.1021/jm9606352 | Estrogen receptor | 2 |
| - | 10.1016/0960-894X(95)00575-E | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine