Compound Detail
CHEMBL2273098
HEPTYLHYDROXYQUINOLINE N-OXIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2273098 |
| Name | HEPTYLHYDROXYQUINOLINE N-OXIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVDWDMDQISRXPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
3.69
ALogP
2
HBA
1
HBD
47.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.15 | 5.15 | 7079.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7079.46 | nM | 5.15 | Inhibition of Escherichia coli GR19N NDH1 assessed as deaminoNADH-DB reductase a... | 8573592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8573592 | 10.1016/0005-2728(95)00131-x | Unchecked | 4 |
| 8573592 | 10.1016/0005-2728(95)00131-x | NADH-ubiquinone oxidoreductase chain 1 | 1 |
Data from ChEMBL 36 via Core Engine