Compound Detail
CHEMBL1290142
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Basic Information
| ChEMBL ID | CHEMBL1290142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOMDVJCUFVPZKM-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.86
ALogP
3
HBA
2
HBD
54.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.39 | 7.27 | 41.0 | 3 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.51 | 5.07 | 3074.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of recombinant human HDAC6 using Ac-RHKK(Ac)-ACC as substrate by fluo... | 20947351 |
| Histone deacetylase 6 | IC50 | = | 62.0 | nM | 7.21 | Activity Assay: HDAC assay is performed using fluorescently-labeled acetylated s... | - |
| Histone deacetylase 6 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of recombinant human HDAC6 using fluorogenic RHKKAc peptide as substr... | 20614936 |
| Histone deacetylase 1 | IC50 | = | 3074.0 | nM | 5.51 | Inhibition of recombinant human HDAC1 using Ac-RHKK(Ac)-ACC as substrate by fluo... | 20947351 |
| Histone deacetylase 1 | IC50 | = | 14000.0 | nM | 4.85 | Activity Assay: HDAC assay is performed using fluorescently-labeled acetylated s... | - |
| Histone deacetylase 1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of recombinant human HDAC1 using fluorogenic RHKKAc peptide as substr... | 20614936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20947351 | 10.1016/j.bmcl.2010.09.100 | Unchecked | 1 |
| 20947351 | 10.1016/j.bmcl.2010.09.100 | Histone deacetylase 1 | 1 |
| 20947351 | 10.1016/j.bmcl.2010.09.100 | Histone deacetylase 6 | 1 |
| 20614936 | 10.1021/ja102758v | Histone deacetylase 1 | 1 |
| 20614936 | 10.1021/ja102758v | Histone deacetylase 6 | 1 |
| 20614936 | 10.1021/ja102758v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine