Compound Detail
CHEMBL39344
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 | CHEMBL39344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHZBEOZNOCNBRM-WYMLVPIESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
5.72
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 7.57 | 7.57 | 27.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 15.0 | nM | 7.82 | Effective concentration against Retinoic acid receptor beta | 8410972 |
| Retinoic acid receptor alpha | EC50 | = | 27.0 | nM | 7.57 | Effective concentration against RAR-alpha receptor | 8410972 |
| Retinoic acid receptor gamma | EC50 | = | 30.0 | nM | 7.52 | Effective concentration against RAR-gamma receptor | 8410972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6208361 | 10.1021/jm00377a022 | Unchecked | 11 |
| 6208361 | 10.1021/jm00377a022 | Cricetinae gen. sp. | 5 |
| 6208361 | 10.1021/jm00377a022 | Mus musculus | 4 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor alpha | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor beta | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor gamma | 2 |
| 6208361 | 10.1021/jm00377a022 | Ornithine decarboxylase | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor RXR-alpha | 1 |
| 8057279 | 10.1021/jm00041a008 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine