Compound Detail
CHEMBL3656001
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Basic Information
| ChEMBL ID | CHEMBL3656001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NETVPFGKHLENEK-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
1.98
ALogP
5
HBA
3
HBD
87.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.5 | 6.5 | 316.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 4.0 | nM | 8.4 | Enzyme Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
| Histone deacetylase 6 | IC50 | = | 4.0 | nM | 8.4 | Enzyme Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
| Histone deacetylase 2 | IC50 | = | 96.0 | nM | 7.02 | Enzyme Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
| Histone deacetylase 1 | IC50 | = | 95.0 | nM | 7.02 | Enzyme Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
| Histone deacetylase 3 | IC50 | = | 316.0 | nM | 6.5 | Enzyme Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
Data from ChEMBL 36 via Core Engine