Compound Detail
CHEMBL4877454
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Basic Information
| ChEMBL ID | CHEMBL4877454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYTNPEBJVDYJIY-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
3.93
ALogP
5
HBA
2
HBD
83.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of recombinant human FLAG-tagged HDAC3 expressed in human HEK293F cel... | 33854701 |
| Histone deacetylase 1 | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of recombinant human C-terminal FLAG-tagged HDAC1 expressed in human ... | 33854701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33854701 | 10.1021/acsmedchemlett.1c00074 | Histone deacetylase 1 | 1 |
| 33854701 | 10.1021/acsmedchemlett.1c00074 | Histone deacetylase 2 | 1 |
| 33854701 | 10.1021/acsmedchemlett.1c00074 | Histone deacetylase 3 | 1 |
| 33854701 | 10.1021/acsmedchemlett.1c00074 | Class 1 histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine