Compound Detail
CHEMBL248414
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Cc1cc2c(cc1-c1cc([C@H]3C[C@@H]3C(=O)O)ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C
Basic Information
| ChEMBL ID | CHEMBL248414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFXPYYBQFZMOPD-MJGOQNOKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
6.17
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.7 | 6.7 | 198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 198.0 | nM | 6.7 | Activity at RXRalpha by GAL4DNA cotransfection assay | 17490875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17490875 | 10.1016/j.bmcl.2007.01.049 | Retinoic acid receptor RXR-alpha | 2 |
| 17490875 | 10.1016/j.bmcl.2007.01.049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine