Compound Detail
CHEMBL75848
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL75848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOHAYALABUMJRK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
5.67
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | Ki | 6.31 | 6.31 | 487.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | Ki | = | 19.0 | nM | 7.72 | Binding affinity towards Retinoic acid receptor gamma | - |
| Retinoic acid receptor beta | Ki | = | 36.0 | nM | 7.44 | Binding affinity towards Retinoic acid receptor beta | - |
| Retinoic acid receptor alpha | Ki | = | 487.0 | nM | 6.31 | Binding affinity towards Retinoic acid receptor alpha | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00405-8 | F9 | 1 |
| - | 10.1016/S0960-894X(97)00405-8 | Retinoic acid receptor alpha | 1 |
| - | 10.1016/S0960-894X(97)00405-8 | Retinoic acid receptor beta | 1 |
| - | 10.1016/S0960-894X(97)00405-8 | Retinoic acid receptor gamma | 1 |
| - | 10.1016/S0960-894X(97)00405-8 | Retinoic acid receptor RXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine