Compound Detail
CHEMBL3912061
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Basic Information
| ChEMBL ID | CHEMBL3912061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJQMJXUXIFRYLN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
1.90
ALogP
5
HBA
3
HBD
100.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 9.77 | 9.77 | 0.2 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.21 | 6.21 | 623.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 0.17 | nM | 9.77 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
| Histone deacetylase 1 | IC50 | = | 623.0 | nM | 6.21 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
Data from ChEMBL 36 via Core Engine