Compound Detail
CHEMBL3909854
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Basic Information
| ChEMBL ID | CHEMBL3909854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROTHFYJDUHEENE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
0.99
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.85 | 7.85 | 14.2 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.45 | 5.45 | 3560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 14.2 | nM | 7.85 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
| Histone deacetylase 1 | IC50 | = | 3560.0 | nM | 5.45 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
Data from ChEMBL 36 via Core Engine