Compound Detail
CHEMBL3692616
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Basic Information
| ChEMBL ID | CHEMBL3692616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHMRHXFYCAGYDK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
1.85
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 4 CHEMBL3524 | IC50 | 7.58 | 6.81 | 26.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 4 | IC50 | = | 26.0 | nM | 7.58 | Inhibition Assay: Human recombinant HDAC4 was expressed in full length form (aa ... | - |
| Histone deacetylase 4 | IC50 | = | 300.0 | nM | 6.52 | Inhibition Assay: Human recombinant HDAC4 was expressed in full length form (aa ... | - |
| Histone deacetylase 4 | IC50 | = | 470.0 | nM | 6.33 | Inhibition Assay: Human recombinant HDAC4 was expressed in full length form (aa ... | - |
Data from ChEMBL 36 via Core Engine