Compound Detail
CHEMBL2018294
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Basic Information
| ChEMBL ID | CHEMBL2018294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMTXCPOBTKYTBJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.10
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.46 | 7.46 | 34.7 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.66 | 4.66 | 22100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 34.7 | nM | 7.46 | Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubate... | 22165909 |
| Histone deacetylase 1 | IC50 | = | 22100.0 | nM | 4.66 | 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 |
Data from ChEMBL 36 via Core Engine