Compound Detail
CHEMBL1221640
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Basic Information
| ChEMBL ID | CHEMBL1221640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAVVEKRPDLBLLX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
4.77
ALogP
5
HBA
1
HBD
70.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.69 | 6.69 | 205.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 205.0 | nM | 6.69 | Agonist activity at RXRalpha by luciferase reporter gene assay | 20656484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20656484 | 10.1016/j.bmcl.2010.07.012 | Retinoic acid receptor alpha | 1 |
| 20656484 | 10.1016/j.bmcl.2010.07.012 | Peroxisome proliferator-activated receptor gamma | 1 |
| 20656484 | 10.1016/j.bmcl.2010.07.012 | RXR alpha/PPAR gamma | 1 |
| 20656484 | 10.1016/j.bmcl.2010.07.012 | Oxysterols receptor LXR-alpha | 1 |
| 20656484 | 10.1016/j.bmcl.2010.07.012 | Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha | 1 |
| 20656484 | 10.1016/j.bmcl.2010.07.012 | Retinoic acid receptor RXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine