Compound Detail
CHEMBL1651181
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Basic Information
| ChEMBL ID | CHEMBL1651181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCWMNGBEQGZJKF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
5.56
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Quinolone resistance protein NorA CHEMBL5114 | IC50 | 5.16 | 5.15 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Quinolone resistance protein NorA | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethi... | 21751791 |
| Quinolone resistance protein NorA | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of Staphylococcus aureus SA-1199B NorA assessed as reduction in EtBr ... | 29908437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21751791 | 10.1021/jm200370y | Staphylococcus aureus | 9 |
| 21751791 | 10.1021/jm200370y | Quinolone resistance protein NorA | 5 |
| 29908437 | 10.1016/j.ejmech.2018.06.013 | Quinolone resistance protein NorA | 3 |
| 21141825 | 10.1021/jm1011963 | Quinolone resistance protein NorA | 1 |
| 29908437 | 10.1016/j.ejmech.2018.06.013 | Unchecked | 1 |
| 29908437 | 10.1016/j.ejmech.2018.06.013 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine