Compound Detail
CHEMBL3692679
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Basic Information
| ChEMBL ID | CHEMBL3692679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPKMFYOAMOHAPX-LLVKDONJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.74
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 4 CHEMBL3524 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 4 | IC50 | = | 1.6 | nM | 8.8 | Inhibition Assay: Human recombinant HDAC4 was expressed in full length form (aa ... | - |
| Histone deacetylase 6 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition Assay: A similar assay procedure as described in Test 2 was used for ... | - |
| Histone deacetylase 1 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition Assay: A similar assay procedure as described in Test 2 was used for ... | - |
Data from ChEMBL 36 via Core Engine