Compound Detail
CHEMBL4060412
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Basic Information
| ChEMBL ID | CHEMBL4060412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYKBQNOPCSXWBL-SNAWJCMRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
0.32
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| 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 1 CHEMBL325 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of HDAC1 (unknown origin) | 28453994 |
| Histone deacetylase 3 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of HDAC3 (unknown origin) | 28453994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Histone deacetylase 1 | 1 |
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Histone deacetylase 3 | 1 |
Data from ChEMBL 36 via Core Engine