Compound Detail
CHEMBL3692596
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Basic Information
| ChEMBL ID | CHEMBL3692596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJXPNFQVEDVGNN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
4.32
ALogP
6
HBA
2
HBD
106.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition Assay: A similar assay procedure as described in Test 2 was used for ... | - |
| Histone deacetylase 4 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition Assay: Human recombinant HDAC4 was expressed in full length form (aa ... | - |
Data from ChEMBL 36 via Core Engine