Compound Detail
CHEMBL468623
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Basic Information
| ChEMBL ID | CHEMBL468623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYYUVCTYGGLIIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
4.63
ALogP
4
HBA
2
HBD
88.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor alpha | EC50 | = | 520.0 | nM | 6.28 | Activity at human RARalpha ligand binding domain expressed in COS7 cells co-tran... | 19058965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor alpha | 2 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor beta | 2 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor gamma | 2 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor RXR-alpha | 1 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor RXR-beta | 1 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor RXR-gamma | 1 |
Data from ChEMBL 36 via Core Engine