Compound Detail
CHEMBL3655998
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Basic Information
| ChEMBL ID | CHEMBL3655998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIJATZDNJJEUPO-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
1.71
ALogP
7
HBA
3
HBD
105.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.91 | 6.91 | 124.0 | 1 |
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 Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
| Histone deacetylase 6 | IC50 | = | 3.0 | nM | 8.52 | Enzyme Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
| Histone deacetylase 1 | IC50 | = | 43.0 | nM | 7.37 | Enzyme Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
| Histone deacetylase 2 | IC50 | = | 52.0 | nM | 7.28 | Enzyme Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
| Histone deacetylase 3 | IC50 | = | 124.0 | nM | 6.91 | Enzyme Assay: Compounds for testing were diluted in DMSO to 50 fold the final co... | - |
Data from ChEMBL 36 via Core Engine