Compound Detail
CHEMBL146636
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O=C(O)c1ccc2cc(-c3ccc(CC(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1
Basic Information
| ChEMBL ID | CHEMBL146636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOGICLJNEFNTER-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
5.57
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Ki | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | Ki | = | 34.0 | nM | 7.47 | Binding affinity to retinoic acid receptor (RAR) gamma using [3H]CD 367 as radio... | 8544175 |
| Retinoic acid receptor beta | Ki | = | 158.0 | nM | 6.8 | Binding affinity to retinoic acid receptor beta using [3H]CD 367 as radioligand | 8544175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544175 | 10.1021/jm00026a006 | Retinoic acid receptor alpha | 1 |
| 8544175 | 10.1021/jm00026a006 | Retinoic acid receptor beta | 1 |
| 8544175 | 10.1021/jm00026a006 | Retinoic acid receptor gamma | 1 |
| 8544175 | 10.1021/jm00026a006 | F9 | 1 |
Data from ChEMBL 36 via Core Engine