Compound Detail
CHEMBL95990
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Basic Information
| ChEMBL ID | CHEMBL95990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIGGAQZXTHMKPL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
2.33
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.35 | 6.35 | 450.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.35 | 6.35 | 446.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 450.0 | nM | 6.35 | Inhibition against partially purified human histone deacetylase 1 (HDAC-1) | 12061890 |
| Histone deacetylase 1 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of human HDAC1 | 19136179 |
| Unchecked | IC50 | = | 446.68 | nM | 6.35 | Inhibition of HDAC | 19136179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12061890 | 10.1021/jm020154k | Histone deacetylase 1 | 1 |
| 19136179 | 10.1016/j.ejmech.2008.12.008 | Histone deacetylase 1 | 1 |
| 19136179 | 10.1016/j.ejmech.2008.12.008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine