Compound Detail
CHEMBL5802986
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Basic Information
| ChEMBL ID | CHEMBL5802986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVTLXAUBRVYDGX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.43
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | Ki | 8.87 | 8.87 | 1.4 | 1 |
| Histone deacetylase 4 CHEMBL3524 | Ki | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | Ki | = | 1.36 | nM | 8.87 | Inhibition Assay: Key enzyme kinetic parameters for one class I HDAC (HDAC8) and... | - |
| Histone deacetylase 4 | Ki | = | 1.7 | nM | 8.77 | Inhibition Assay: Key enzyme kinetic parameters for one class I HDAC (HDAC8) and... | - |
Data from ChEMBL 36 via Core Engine