Compound Detail
CHEMBL5661883
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Basic Information
| ChEMBL ID | CHEMBL5661883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZABLXDQXUNASA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3675749 |
| Active Moiety | CHEMBL3675749 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.70
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.67 | 6.67 | 213.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.6 | 4.6 | 25200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 213.0 | nM | 6.67 | Inhibition of recombinant human HDAC6 using fluorogenic RHKKAc peptide as substr... | 20614936 |
| Histone deacetylase 1 | IC50 | = | 25200.0 | nM | 4.6 | 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