Compound Detail
CHEMBL4453121
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Basic Information
| ChEMBL ID | CHEMBL4453121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMHARNDBRDSPAO-UHFFFAOYSA-N |
11
Targets
12
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
0.30
ALogP
8
HBA
2
HBD
118.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 6.32 | 6.32 | 474.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 6.12 | 6.12 | 762.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.05 | 6.05 | 884.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Histone deacetylase 9 CHEMBL4145 | IC50 | 5.77 | 5.77 | 1705.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 5.52 | 5.52 | 3007.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 5.34 | 5.34 | 4601.0 | 1 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 5.3 | 5.3 | 4999.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine