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Compound Detail

CHEMBL273348

TOSUFLOXACIN
🧪 Phase II
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🧪 Phase II
NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273348
Name TOSUFLOXACIN
Phase Phase II
Structure Type MOL
InChI Key WUWFMDMBOJLQIV-UHFFFAOYSA-N

Known Names

A 61827 A 67107 A-61827 A-67107 ABBOTT 61827 ABBOTT-61827 Ozex Tosufloxacin Tosufloxacin tosilate Tosufloxacine Tosufloxacino
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
20
Publications
11
Known Names
2
Indications

Molecular Properties

404.4
MW (Da)
2.04
ALogP
6
HBA
2
HBD
101.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -oxacin
USAN Year 1989

Extended Properties

Molecular Formula C19H15F3N4O3
MW 404.35
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.05

Indications

Bacterial Infections Eye Infections

ATC Classification

J01MA22
tosufloxacin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
S01AE09
tosufloxacin
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

IC50 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HeLa
CHEMBL399
 IC50 4.5 4.5 32000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 36000.0 ng.hr.mL-1 Mus musculus
AUC 33000.0 ng.hr.mL-1 Mus musculus
AUC 18000.0 ng.hr.mL-1 Mus musculus
Cmax 24731.05 nM Mus musculus
Cmax 71720.04 nM Mus musculus
Cmax 3215.04 nM Mus musculus
T1/2 2.4 hr Mus musculus
T1/2 1.383 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HeLa IC50 = 32000.0 nM 4.5 Inhibition of human HeLa cell proliferation 19595598

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 269
1738144 10.1021/jm00081a013 Mus musculus 13
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
3783594 10.1021/jm00161a036 Mus musculus 9
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
17548499 10.1128/aac.00339-07 Escherichia coli 7
9873632 10.1016/s0960-894x(98)00514-9 Staphylococcus aureus 5
9873632 10.1016/s0960-894x(98)00514-9 Escherichia coli 4
9873632 10.1016/s0960-894x(98)00514-9 Pseudomonas aeruginosa 4
2840501 10.1021/jm00403a020 Staphylococcus aureus 4
1366133 10.1021/jm00088a011 No relevant target 4
2840501 10.1021/jm00403a020 Mus musculus 4
1366133 10.1021/jm00088a011 Mus musculus 4
1573632 10.1021/jm00086a007 Staphylococcus aureus 3
8385225 10.1021/jm00059a012 Streptococcus pyogenes 3
8385225 10.1021/jm00059a012 Escherichia coli 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
1366133 10.1021/jm00088a011 Escherichia coli 3
1366133 10.1021/jm00088a011 Streptococcus pneumoniae 3
9873632 10.1016/s0960-894x(98)00514-9 Citrobacter freundii 2

Data from ChEMBL 36 via Core Engine