Compound Detail
CHEMBL3675752
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Basic Information
| ChEMBL ID | CHEMBL3675752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAMYNMBYUHKMBU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.25
ALogP
3
HBA
2
HBD
54.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.22 | 8.22 | 6.0 | 2 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.69 | 6.69 | 204.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 6.0 | nM | 8.22 | Activity Assay: HDAC assay is performed using fluorescently-labeled acetylated s... | - |
| Histone deacetylase 6 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of recombinant human HDAC6 using fluorogenic RHKKAc peptide as substr... | 20614936 |
| Histone deacetylase 1 | IC50 | = | 204.0 | nM | 6.69 | Activity Assay: HDAC assay is performed using fluorescently-labeled acetylated s... | - |
| Histone deacetylase 1 | IC50 | = | 204.0 | nM | 6.69 | Inhibition of recombinant human HDAC1 using fluorogenic RHKKAc peptide as substr... | 20614936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20614936 | 10.1021/ja102758v | Histone deacetylase 1 | 1 |
| 20614936 | 10.1021/ja102758v | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine