Compound Detail
CHEMBL1170610
BENZOXIQUINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1170610 |
| Name | BENZOXIQUINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BHKPHCKISVSDGV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
7
Known Names
Molecular Properties
249.3
MW (Da)
3.45
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 3 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.03 | 6.03 | 932.3 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 4.46 | 4.46 | 34800.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | IC50 | 4.37 | 4.37 | 42800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 932.3 | nM | 6.03 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Methionine aminopeptidase 2 | IC50 | = | 34800.0 | nM | 4.46 | Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells | 20621724 |
| Methionine aminopeptidase 1 | IC50 | = | 42800.0 | nM | 4.37 | Inhibition of human MetAP1 | 20621724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Unchecked | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 1 | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine