Compound Detail
CHEMBL247000
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CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(C(C)CC(=O)O)ccc3OC(F)(F)F)cc21
Basic Information
| ChEMBL ID | CHEMBL247000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHRURZQTGOTHBJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
6.17
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 7.42 | 7.42 | 37.7 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.46 | 6.46 | 347.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 37.7 | nM | 7.42 | Activity at RXRalpha by GAL4DNA cotransfection assay | 17490875 |
| Unchecked | EC50 | = | 347.0 | nM | 6.46 | Activity at RXR-LXR heterodimer assessed as induction of ABCA1 mRNA | 17490875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17490875 | 10.1016/j.bmcl.2007.01.049 | Unchecked | 2 |
| 17490875 | 10.1016/j.bmcl.2007.01.049 | Retinoic acid receptor RXR-alpha | 2 |
Data from ChEMBL 36 via Core Engine