Compound Detail
CHEMBL285179
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Basic Information
| ChEMBL ID | CHEMBL285179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUSIBKZXKHKYDB-JQIJEIRASA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
6.29
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 9.4 | 8.56 | 0.4 | 2 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 9.3 | 8.45 | 0.5 | 2 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 7.62 | 7.525 | 24.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | EC50 | = | 0.4 | nM | 9.4 | Transcriptional activation for RAR gamma receptor | - |
| Retinoic acid receptor beta | EC50 | = | 0.5 | nM | 9.3 | Transcriptional activation for RAR beta receptor | - |
| Retinoic acid receptor gamma | EC50 | = | 19.0 | nM | 7.72 | Effective concentration against RAR-gamma receptor | 8410972 |
| Retinoic acid receptor alpha | EC50 | = | 24.0 | nM | 7.62 | Transcriptional activation for RAR alpha receptor | - |
| Retinoic acid receptor beta | EC50 | = | 25.0 | nM | 7.6 | Effective concentration against Retinoic acid receptor beta | 8410972 |
| Retinoic acid receptor alpha | EC50 | = | 37.0 | nM | 7.43 | Effective concentration against RAR-alpha receptor | 8410972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2738885 | 10.1021/jm00127a018 | Unchecked | 3 |
| 2738885 | 10.1021/jm00127a018 | Oryctolagus cuniculus | 3 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor alpha | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor beta | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor gamma | 2 |
| 2738885 | 10.1021/jm00127a018 | F9 | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor RXR-alpha | 1 |
| - | 10.1016/S0960-894X(01)80511-4 | Retinoic acid receptor alpha | 1 |
| - | 10.1016/S0960-894X(01)80511-4 | Retinoic acid receptor beta | 1 |
| - | 10.1016/S0960-894X(01)80511-4 | Retinoic acid receptor gamma | 1 |
| - | 10.1016/S0960-894X(01)80511-4 | Retinoic acid receptor RXR-alpha | 1 |
| 2738885 | 10.1021/jm00127a018 | Ornithine decarboxylase | 1 |
| 2738885 | 10.1021/jm00127a018 | NON-PROTEIN TARGET | 1 |
| 2738885 | 10.1021/jm00127a018 | Cellular retinoic acid-binding protein 1 | 1 |
| 8057279 | 10.1021/jm00041a008 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine