Compound Detail
CHEMBL36718
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Basic Information
| ChEMBL ID | CHEMBL36718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTFYSNDGWSYEGA-CCEZHUSRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
6.09
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.67
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 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 | 20.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 20.0 | nM | 7.7 | Effective concentration against Retinoic acid receptor beta | 8410972 |
| Retinoic acid receptor gamma | EC50 | = | 210.0 | nM | 6.68 | Effective concentration against RAR-gamma receptor | 8410972 |
| Retinoic acid receptor alpha | EC50 | = | 550.0 | nM | 6.26 | Effective concentration against RAR-alpha receptor | 8410972 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 1500.0 | nM | 5.82 | Effective concentration against RXR-alpha receptor | 8410972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6208361 | 10.1021/jm00377a022 | Cricetinae gen. sp. | 5 |
| 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 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor RXR-alpha | 2 |
| 6208361 | 10.1021/jm00377a022 | Ornithine decarboxylase | 2 |
Data from ChEMBL 36 via Core Engine