Compound Detail
CHEMBL2018442
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Basic Information
| ChEMBL ID | CHEMBL2018442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUCKBBWDNNWXMP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.35
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 9.01 | 9.01 | 1.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.24 | 5.24 | 5820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 0.972 | nM | 9.01 | Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubate... | 22165909 |
| Histone deacetylase 1 | IC50 | = | 5820.0 | nM | 5.24 | Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubate... | 22165909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22165909 | 10.1021/jm200773h | Unchecked | 1 |
| 22165909 | 10.1021/jm200773h | Histone deacetylase 6 | 1 |
| 22165909 | 10.1021/jm200773h | Histone deacetylase 1 | 1 |
| 22165909 | 10.1021/jm200773h | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine