Compound Detail
CHEMBL3907669
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Basic Information
| ChEMBL ID | CHEMBL3907669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHFXDBDQQSFQEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
1.87
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.45 | 7.45 | 35.8 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.19 | 5.19 | 6470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 35.8 | nM | 7.45 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
| Histone deacetylase 1 | IC50 | = | 6470.0 | nM | 5.19 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
Data from ChEMBL 36 via Core Engine