Compound Detail
CHEMBL5661880
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Basic Information
| ChEMBL ID | CHEMBL5661880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMLUTJHTWFLQLY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2018451 |
| Active Moiety | CHEMBL2018451 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.80
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.29 | 5.29 | 5180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant human HDAC6 using fluorogenic RHKKAc peptide as substr... | 20614936 |
| Histone deacetylase 1 | IC50 | = | 5180.0 | nM | 5.29 | 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 |
| 20614936 | 10.1021/ja102758v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine