Compound Detail
CHEMBL1454910
NITROXOLINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1454910 |
| Name | NITROXOLINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RJIWZDNTCBHXAL-UHFFFAOYSA-N |
20
Targets
56
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names
1
Indications
Molecular Properties
190.2
MW (Da)
1.85
ALogP
4
HBA
1
HBD
76.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Withdrawn |
| Chirality | Achiral |
Indications
Bacterial Infections
ATC Classification
J01XX07
nitroxoline
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Drug Warnings
Withdrawn
occular toxicity
cataracts have developed in rats in prolonged dosage studies
Activity Summary
IC50 32 meas. best 7.26
EC50 17 meas. best 6.79
Ki 7 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 7.26 | 7.26 | 55.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.22 | 5.8928 | 60.0 | 18 |
| Unchecked CHEMBL612545 | EC50 | 6.79 | 5.378 | 161.0 | 5 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.17 | 6.17 | 681.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.01 | 6.01 | 980.0 | 3 |
| Prostaglandin G/H synthase 2 CHEMBL230 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 6.0 | 6.0 | 1000.0 | 3 |
| HUVEC CHEMBL613979 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Acinetobacter baumannii CHEMBL614425 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Klebsiella pneumoniae CHEMBL350 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Escherichia coli CHEMBL354 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Cystathionine gamma-lyase CHEMBL4295745 | IC50 | 5.22 | 5.0967 | 6000.0 | 3 |
| Enterobacter cloacae CHEMBL349 | EC50 | 5.18 | 5.18 | 6600.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.03 | 4.7833 | 9441.0 | 3 |
| Staphylococcus aureus CHEMBL352 | EC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.84 | 4.84 | 14400.0 | 1 |
| Enterococcus faecium CHEMBL357 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Catechol O-methyltransferase CHEMBL2372 | IC50 | 4.7 | 4.7 | 19952.6 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 4.4 | 4.4 | 39500.0 | 2 |
| Pseudomonas aeruginosa CHEMBL348 | EC50 | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine