Compound Detail
CHEMBL402451
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 | CHEMBL402451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJRMRSNAFIQQLD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
3.46
ALogP
3
HBA
2
HBD
46.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of HDAC from human HeLa cells | 18247554 |
| Histone deacetylase 8 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of human HDAC8 | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247554 | 10.1021/jm7011408 | Histone deacetylase | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine