Compound Detail
CHEMBL2111557
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 | CHEMBL2111557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRRKCGFSBZNROB-YRHBRCDZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
6.55
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor beta CHEMBL3266 | IC50 | 6.43 | 6.43 | 371.0 | 1 |
| Retinoic acid receptor gamma CHEMBL4177 | IC50 | 6.15 | 6.15 | 708.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2792 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Cellular retinoic acid-binding protein 1 CHEMBL4945 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | IC50 | = | 371.0 | nM | 6.43 | Inhibition of murine Retinoic acid receptor RAR beta | 7608895 |
| Retinoic acid receptor gamma | IC50 | = | 708.0 | nM | 6.15 | Inhibition of binding to murine Retinoic acid receptor RAR gamma | 7608895 |
| Retinoic acid receptor alpha | IC50 | = | 900.0 | nM | 6.05 | Inhibition of murine Retinoic acid receptor RAR alpha | 7608895 |
| Cellular retinoic acid-binding protein 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of binding to chick skin Cytoplasmic retinoic acid binding protein | 7608895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7608895 | 10.1021/jm00013a006 | Cellular retinoic acid-binding protein 1 | 4 |
| 7608895 | 10.1021/jm00013a006 | Retinoic acid receptor RXR-alpha | 4 |
| 7608895 | 10.1021/jm00013a006 | Cellular retinoic acid-binding protein 2 | 2 |
| 7608895 | 10.1021/jm00013a006 | Retinoic acid receptor alpha | 2 |
| 7608895 | 10.1021/jm00013a006 | Retinoic acid receptor beta | 1 |
| 7608895 | 10.1021/jm00013a006 | Retinoic acid receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine