Compound Detail
CHEMBL5848480
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Basic Information
| ChEMBL ID | CHEMBL5848480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXOTUUPFDDDNIN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
1.13
ALogP
4
HBA
4
HBD
90.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 7.07 | 7.07 | 84.5 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.97 | 6.97 | 106.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.32 | 6.32 | 477.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 84.5 | nM | 7.07 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 1 | IC50 | = | 106.0 | nM | 6.97 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 2 | IC50 | = | 477.0 | nM | 6.32 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Data from ChEMBL 36 via Core Engine