Compound Detail
CHEMBL5991951
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Basic Information
| ChEMBL ID | CHEMBL5991951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICENLYKINRUSNL-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
3.65
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.67 | 8.67 | 2.1 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.01 | 7.01 | 96.7 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.84 | 6.84 | 143.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.51 | 6.51 | 307.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.31 | 6.31 | 493.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 2.13 | nM | 8.67 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 1 | IC50 | = | 96.7 | nM | 7.01 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 3 | IC50 | = | 143.0 | nM | 6.84 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 2 | IC50 | = | 307.0 | nM | 6.51 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 8 | IC50 | = | 493.0 | nM | 6.31 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Data from ChEMBL 36 via Core Engine