Compound Detail
CHEMBL4546707
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Basic Information
| ChEMBL ID | CHEMBL4546707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTGXHJYASHRQBD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
4.17
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.56 | 6.56 | 275.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 275.0 | nM | 6.56 | Agonist activity at human RXRalpha expressed in African green monkey COS1 cells ... | 31160175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31160175 | 10.1016/j.bmcl.2019.05.050 | ADMET | 10 |
| 31160175 | 10.1016/j.bmcl.2019.05.050 | Retinoic acid receptor RXR-alpha | 2 |
| 31160175 | 10.1016/j.bmcl.2019.05.050 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine