Compound Detail
CHEMBL2381520
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Basic Information
| ChEMBL ID | CHEMBL2381520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXHPVXNYPQJIOB-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.06
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.24 | 6.375 | 57.0 | 2 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.96 | 6.94 | 110.0 | 2 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.41 | 4.41 | 39100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of HDAC6 (unknown origin) after 60 mins by fluorescence assay | 23672185 |
| Histone deacetylase 8 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of HDAC8 (unknown origin) after 60 mins by fluorescence assay | 23672185 |
| Histone deacetylase 8 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expresse... | 29190092 |
| Histone deacetylase 6 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of recombinant human full length HDAC6 expressed in fall armyworm Sf9... | 29190092 |
| Histone deacetylase 2 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of HDAC2 (unknown origin) after 60 mins by fluorescence assay | 23672185 |
| Histone deacetylase 1 | IC50 | = | 39100.0 | nM | 4.41 | Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC1 express... | 29190092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23672185 | 10.1021/jm400390r | Unchecked | 4 |
| 29190092 | 10.1021/acs.jmedchem.7b01447 | Histone deacetylase 1 | 3 |
| 29190092 | 10.1021/acs.jmedchem.7b01447 | Histone deacetylase 6 | 3 |
| 29190092 | 10.1021/acs.jmedchem.7b01447 | Unchecked | 2 |
| 23672185 | 10.1021/jm400390r | Histone deacetylase 6 | 1 |
| 23672185 | 10.1021/jm400390r | Histone deacetylase 8 | 1 |
| 23672185 | 10.1021/jm400390r | Histone deacetylase 4 | 1 |
| 23672185 | 10.1021/jm400390r | Histone deacetylase 2 | 1 |
| 29190092 | 10.1021/acs.jmedchem.7b01447 | Histone deacetylase 8 | 1 |
| 29190092 | 10.1021/acs.jmedchem.7b01447 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine