Compound Detail
CHEMBL4870227
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Basic Information
| ChEMBL ID | CHEMBL4870227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMVJLNPNMRXUCQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.83
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.14 | 6.14 | 718.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expresse... | 34795871 |
| Histone deacetylase 1 | IC50 | = | 718.0 | nM | 6.14 | Inhibition of recombinant human C-terminal His-tagged HDAC1 expressed in Sf9 ins... | 34795871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34795871 | 10.1021/acsmedchemlett.1c00425 | Histone deacetylase 1 | 1 |
| 34795871 | 10.1021/acsmedchemlett.1c00425 | Histone deacetylase 6 | 1 |
| 34795871 | 10.1021/acsmedchemlett.1c00425 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine