Compound Detail
CHEMBL134375
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Basic Information
| ChEMBL ID | CHEMBL134375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQIJOUHEHNIFNR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
6.40
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor alpha CHEMBL2055 | IC50 | 9.35 | 9.35 | 0.5 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor alpha | IC50 | = | 0.45 | nM | 9.35 | Binding affinity for Retinoic Acid Receptor alpha (RAR alpha) | 10669568 |
| Retinoic acid receptor gamma | IC50 | = | 21.0 | nM | 7.68 | Binding affinity for Retinoic acid receptor gamma | 10669568 |
| Retinoic acid receptor beta | IC50 | = | 100.0 | nM | 7.0 | Binding affinity for Retinoic Acid Receptor beta (RAR beta) | 10669568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669568 | 10.1021/jm990063w | Retinoic acid receptor alpha | 3 |
| 10669568 | 10.1021/jm990063w | Retinoic acid receptor beta | 2 |
| 10669568 | 10.1021/jm990063w | Retinoic acid receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine