Compound Detail
CHEMBL371212
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Basic Information
| ChEMBL ID | CHEMBL371212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJAKNMWHKZEXEZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.0
MW (Da)
4.30
ALogP
5
HBA
3
HBD
95.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.96 | 5.6733 | 110.0 | 3 |
| Histone deacetylase CHEMBL2095943 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of HDAC in rat liver homogenate | 16420064 |
| Histone deacetylase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human liver HDAC | 18247554 |
| Histone deacetylase | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of HDAC in human leukemic CEM cells | 16420064 |
| Histone deacetylase | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of HDAC in human CEM cells | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420064 | 10.1021/jm051010j | Histone deacetylase | 2 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase | 2 |
| 16420064 | 10.1021/jm051010j | CCRF-CEM | 1 |
| 18247554 | 10.1021/jm7011408 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine