Compound Detail
CHEMBL4590840
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Basic Information
| ChEMBL ID | CHEMBL4590840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMKDPHVIITXSQW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
5.15
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor beta CHEMBL3266 | EC50 | 6.37 | 6.37 | 423.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2792 | EC50 | 6.23 | 6.23 | 594.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 423.0 | nM | 6.37 | Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 2... | 30792038 |
| Retinoic acid receptor alpha | EC50 | = | 594.0 | nM | 6.23 | Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after ... | 30792038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30792038 | 10.1016/j.bmcl.2019.02.011 | Unchecked | 1 |
| 30792038 | 10.1016/j.bmcl.2019.02.011 | Retinoic acid receptor beta | 1 |
| 30792038 | 10.1016/j.bmcl.2019.02.011 | Retinoic acid receptor alpha | 1 |
| 30792038 | 10.1016/j.bmcl.2019.02.011 | Retinoic acid receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine