Compound Detail
CHEMBL3973971
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Basic Information
| ChEMBL ID | CHEMBL3973971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEIAWNUTOCPSAJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.08
ALogP
5
HBA
3
HBD
102.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.52 | 6.52 | 299.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 54.0 | nM | 7.27 | HDAC enzyme inhibitionAssay: HDAC enzyme inhibition assays were performed using ... | - |
| Histone deacetylase 1 | IC50 | = | 299.0 | nM | 6.52 | HDAC enzyme inhibitionAssay: HDAC enzyme inhibition assays were performed using ... | - |
Data from ChEMBL 36 via Core Engine