Compound Detail
CHEMBL92447
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCOc1c(-c2c[nH]c3ccc(/C(C)=C/C(=O)O)cc23)cc(C(C)(C)C)cc1C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL92447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWZJLIIDSHMRRC-QGOAFFKASA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
7.71
ALogP
2
HBA
2
HBD
62.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.52
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 7.52 | 7.52 | 30.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | Ki | = | 1.6 | nM | 8.8 | Ability to displace [3H]9-cis-RA from Retinoid X receptor alpha in CV-1 cells | 15125928 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 30.1 | nM | 7.52 | Effective concentration for antagonistic activity against RXR-alpha expressed in... | 15125928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125928 | 10.1016/j.bmcl.2004.03.073 | Retinoic acid receptor RXR-alpha | 5 |
| 15125928 | 10.1016/j.bmcl.2004.03.073 | Peroxisome proliferator-activated receptor gamma | 2 |
| 15125928 | 10.1016/j.bmcl.2004.03.073 | Retinoic acid receptor gamma | 1 |
| 15125928 | 10.1016/j.bmcl.2004.03.073 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine