Compound Detail
CHEMBL74331
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Basic Information
| ChEMBL ID | CHEMBL74331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEYVGEVTMFGWIC-UTLHNGROSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
5.54
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor alpha CHEMBL2055 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Ki | 7.96 | 7.925 | 11.0 | 2 |
| Retinoic acid receptor gamma CHEMBL2003 | Ki | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor alpha | Ki | = | 3.1 | nM | 8.51 | Binding affinity towards human Retinoic acid receptor alpha | - |
| Retinoic acid receptor beta | Ki | = | 11.0 | nM | 7.96 | Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]all-trans-... | - |
| Retinoic acid receptor beta | Ki | = | 13.0 | nM | 7.89 | Binding affinity towards cRAR-beta-2 receptor by displacing 1.1 nM 3[H]-9-cis-RA | - |
| Retinoic acid receptor gamma | Ki | = | 32.0 | nM | 7.5 | Binding affinity towards human Retinoic acid receptor gamma | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00420-4 | Retinoic acid receptor beta | 2 |
| - | 10.1016/S0960-894X(97)00420-4 | Retinoic acid receptor RXR-gamma | 1 |
| - | 10.1016/S0960-894X(97)00420-4 | Retinoic acid receptor alpha | 1 |
| - | 10.1016/S0960-894X(97)00420-4 | Retinoic acid receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine