Compound Detail
CHEMBL5407623
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C/C(=C\c1nc(-c2ccccc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5407623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTCNAHWAROWFGE-YRNVUSSQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.3
MW (Da)
6.53
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta | EC50 | = | 17.0 | nM | 7.77 | Agonist activity at full length human RXR beta expressed in HEK293T cells measur... | 38064686 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 22.0 | nM | 7.66 | Agonist activity at full length human RXR alpha expressed in HEK293T cells measu... | 38064686 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 23.0 | nM | 7.64 | Agonist activity at full length human RXR gamma expressed in HEK293T cells measu... | 38064686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38064686 | 10.1021/acs.jmedchem.3c01435 | Retinoic acid receptor RXR-alpha | 2 |
| 38064686 | 10.1021/acs.jmedchem.3c01435 | Retinoic acid receptor RXR-beta | 2 |
| 38064686 | 10.1021/acs.jmedchem.3c01435 | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine