Compound Detail
CHEMBL513760
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Basic Information
| ChEMBL ID | CHEMBL513760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXQRCYPIISFGII-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
4.39
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 5.8 | 5.8 | 1584.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
| CL | - | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 19.95 | nM | 7.7 | Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay | 19239230 |
| Retinoic acid receptor alpha | EC50 | = | 1584.89 | nM | 5.8 | Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay | 19239230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19239230 | 10.1021/jm801532e | Retinoic acid receptor beta | 3 |
| 19239230 | 10.1021/jm801532e | Retinoic acid receptor alpha | 2 |
| 19239230 | 10.1021/jm801532e | Liver microsomes | 2 |
| 19239230 | 10.1021/jm801532e | Retinoic acid receptor gamma | 1 |
| 19239230 | 10.1021/jm801532e | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine