Compound Detail
CHEMBL5861794
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Basic Information
| ChEMBL ID | CHEMBL5861794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBPPCJHSWQCENE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.02
ALogP
6
HBA
2
HBD
83.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 7.01 | 7.01 | 97.8 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 97.8 | nM | 7.01 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 2 | IC50 | = | 160.0 | nM | 6.8 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 1 | IC50 | = | 270.0 | nM | 6.57 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Data from ChEMBL 36 via Core Engine