Compound Detail
CHEMBL4438404
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Basic Information
| ChEMBL ID | CHEMBL4438404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMEMORTXMDILLA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
513.7
MW (Da)
5.40
ALogP
7
HBA
3
HBD
100.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 4 CHEMBL3524 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 4 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of HDAC4 (unknown origin) | 30245394 |
| Histone deacetylase 6 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of HDAC6 (unknown origin) | 30245394 |
| Histone deacetylase 1 | IC50 | = | 4.9 | nM | 8.31 | Inhibition of HDAC1 (unknown origin) | 30245394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30245394 | 10.1016/j.ejmech.2018.08.073 | Histone deacetylase 6 | 1 |
| 30245394 | 10.1016/j.ejmech.2018.08.073 | Histone deacetylase 1 | 1 |
| 30245394 | 10.1016/j.ejmech.2018.08.073 | Histone deacetylase 4 | 1 |
Data from ChEMBL 36 via Core Engine