Compound Detail
CHEMBL4449668
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Basic Information
| ChEMBL ID | CHEMBL4449668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGPGONBALWALNL-UHFFFAOYSA-N |
6
Targets
6
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 6 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 8.66 | 8.66 | 2.2 | 1 |
| Retinoic acid receptor beta CHEMBL3266 | EC50 | 8.66 | 8.66 | 2.2 | 1 |
| Retinoic acid receptor gamma CHEMBL4177 | EC50 | 8.14 | 8.14 | 7.3 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 8.08 | 8.08 | 8.4 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2792 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 2.2 | nM | 8.66 | Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 2... | 30792038 |
| Retinoic acid receptor beta | EC50 | = | 2.2 | nM | 8.66 | Transactivation assays: Transcriptional transactivation assays were performed wi... | - |
| Retinoic acid receptor gamma | EC50 | = | 7.3 | nM | 8.14 | Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after ... | 30792038 |
| Retinoic acid receptor gamma | EC50 | = | 8.4 | nM | 8.08 | Transactivation assays: Transcriptional transactivation assays were performed wi... | - |
| Retinoic acid receptor alpha | EC50 | = | 16.0 | nM | 7.8 | Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after ... | 30792038 |
| Retinoic acid receptor alpha | EC50 | = | 16.0 | nM | 7.8 | Transactivation assays: Transcriptional transactivation assays were performed wi... | - |
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