Compound Detail
CHEMBL3693778
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Basic Information
| ChEMBL ID | CHEMBL3693778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPBDCNJALIOABV-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
4.43
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.14
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.52 | 7.72 | 3.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 3.0 | nM | 8.52 | Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... | - |
| Histone deacetylase 6 | IC50 | = | 3.0 | nM | 8.52 | Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... | - |
| Histone deacetylase 6 | IC50 | = | 121.0 | nM | 6.92 | Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... | - |
| Histone deacetylase 6 | IC50 | = | 121.0 | nM | 6.92 | Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... | - |
Data from ChEMBL 36 via Core Engine