Compound Detail
CHEMBL80992
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Basic Information
| ChEMBL ID | CHEMBL80992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYAJZQYENGWICE-HSZRJFAPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
5.97
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | Kd | 6.09 | 6.09 | 816.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Kd | 5.39 | 5.39 | 4095.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | Kd | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | Kd | = | 816.0 | nM | 6.09 | Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-... | 8691435 |
| Retinoic acid receptor beta | Kd | = | 4095.0 | nM | 5.39 | Apparent binding constant for Retinoic acid receptor beta in HeLa cellGAL-4 tran... | 8691435 |
| Retinoic acid receptor alpha | Kd | = | 7500.0 | nM | 5.12 | Apparent binding constant against Retinoic acid receptor alpha in HeLa cell GAl-... | 8691435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691435 | 10.1021/jm9502293 | Retinoic acid receptor alpha | 1 |
| 8691435 | 10.1021/jm9502293 | Retinoic acid receptor beta | 1 |
| 8691435 | 10.1021/jm9502293 | Retinoic acid receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine