Compound Detail
CHEMBL74218
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
Basic Information
| ChEMBL ID | CHEMBL74218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCXMWFJVQUFTBA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
5.21
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | Ki | 6.7 | 6.7 | 200.0 | 2 |
| Retinoic acid receptor beta CHEMBL2008 | Ki | 5.45 | 5.45 | 3550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | Ki | = | 200.0 | nM | 6.7 | Binding affinity towards Retinoic acid receptor gamma | - |
| Retinoic acid receptor gamma | Ki | = | 200.0 | nM | 6.7 | Binding affinity to retinoic acid receptor (RAR) gamma using [3H]CD 367 as radio... | 8544175 |
| Retinoic acid receptor beta | Ki | = | 3550.0 | nM | 5.45 | 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 | F9 | 2 |
| 18759424 | 10.1021/jm800456k | Unchecked | 2 |
| 18759424 | 10.1021/jm800456k | MDA-MB-231 | 2 |
| 18759424 | 10.1021/jm800456k | ADMET | 2 |
| - | 10.1016/S0960-894X(97)00405-8 | F9 | 1 |
| - | 10.1016/S0960-894X(97)00405-8 | Retinoic acid receptor alpha | 1 |
| - | 10.1016/S0960-894X(97)00405-8 | Retinoic acid receptor beta | 1 |
| - | 10.1016/S0960-894X(97)00405-8 | Retinoic acid receptor gamma | 1 |
| - | 10.1016/S0960-894X(97)00405-8 | Retinoic acid receptor RXR-alpha | 1 |
| 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 |
| 32184975 | 10.1021/acsmedchemlett.9b00159 | Staphylococcus aureus | 1 |
| 32184975 | 10.1021/acsmedchemlett.9b00159 | HepG2 | 1 |
| 32184975 | 10.1021/acsmedchemlett.9b00159 | Erythrocyte | 1 |
Data from ChEMBL 36 via Core Engine