Compound Detail
CHEMBL3640673
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CN(C)C(=O)c1ccc(C(O)(c2ccccc2)c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3640673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNSZWLSWUJJUNW-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
3.86
ALogP
5
HBA
4
HBD
119.0
PSA (Ų)
0.13
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.4 | 7.735 | 4.0 | 4 |
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 Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... | - |
| Histone deacetylase 6 | IC50 | = | 4.0 | nM | 8.4 | Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... | - |
| Histone deacetylase 6 | IC50 | = | 86.0 | nM | 7.07 | Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... | - |
| Histone deacetylase 6 | IC50 | = | 86.0 | nM | 7.07 | Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... | - |
Data from ChEMBL 36 via Core Engine