Compound Detail
CHEMBL4531897
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Basic Information
| ChEMBL ID | CHEMBL4531897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKVWPZOCWTYVPA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
4.60
ALogP
5
HBA
1
HBD
89.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL4177 | EC50 | 8.26 | 8.26 | 5.5 | 1 |
| Retinoic acid receptor beta CHEMBL3266 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2792 | EC50 | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | EC50 | = | 5.5 | nM | 8.26 | Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after ... | 30792038 |
| Retinoic acid receptor beta | EC50 | = | 11.0 | nM | 7.96 | Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 2... | 30792038 |
| Retinoic acid receptor alpha | EC50 | = | 61.0 | nM | 7.21 | 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 | 2 |
| 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