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Compound Detail

CHEMBL278255

CLINAFLOXACIN
🧪 Phase II
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🧪 Phase II
NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1

Basic Information

ChEMBL ID CHEMBL278255
Name CLINAFLOXACIN
Phase Phase II
Structure Type MOL
InChI Key QGPKADBNRMWEQR-UHFFFAOYSA-N

Known Names

Clinafloxacin Clinafloxacine Clinafloxacino
5
Targets
5
Activities
2
Assay Types
18
PK Parameters
20
Publications
3
Known Names

Molecular Properties

365.8
MW (Da)
2.36
ALogP
5
HBA
2
HBD
88.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -oxacin
USAN Year 1992

Extended Properties

Molecular Formula C17H17ClFN3O3
MW 365.79
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.60

Activity Summary

EC50 3 meas. best 7.19
IC50 2 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 7.19 7.19 64.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.94 6.94 115.0 1
Streptococcus
CHEMBL612313
EC50 6.85 6.85 142.0 1
Unchecked
CHEMBL612545
IC50 5.5 5.5 3200.0 1
Plasmodium falciparum
CHEMBL364
IC50 4.7 4.7 20000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 18000.0 ng.hr.mL-1 Homo sapiens
CL 4.7 mL.min-1.kg-1 Homo sapiens
CL 1.5 mL.min-1.kg-1 Homo sapiens
CL 4.7 mL.min-1.kg-1 Homo sapiens
CL 4.7 mL.min-1.kg-1 Homo sapiens
Cmax 4374.09 nM Homo sapiens
Fu 0.96 - Homo sapiens
Fu 0.96 - Homo sapiens
Fu 0.157 - Homo sapiens
Fu 0.139 - Macaca fascicularis
Fu 0.398 - Canis lupus familiaris
Fu 0.167 - Cavia porcellus
Fu 0.377 - Mus musculus
Fu 0.435 - Rattus norvegicus
Fu 0.148 - Rattus norvegicus
MRT 6.7 hr Homo sapiens
T1/2 5.4 hr Homo sapiens
T1/2 6.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24684842 10.1016/j.bmcl.2014.03.010 Mycobacterium tuberculosis 11
18457383 10.1021/jm701428b Staphylococcus aureus 9
20070106 10.1021/jm901371v Homo sapiens 8
1848296 10.1021/jm00107a039 Escherichia coli 6
1848296 10.1021/jm00107a039 Streptococcus pneumoniae 6
1848296 10.1021/jm00107a039 Streptococcus pyogenes 6
38787534 10.1021/acs.jmedchem.4c00238 Staphylococcus aureus 5
21474681 10.1124/dmd.111.038778 Brain 5
18457383 10.1021/jm701428b Mus musculus 5
24684842 10.1016/j.bmcl.2014.03.010 Escherichia coli 4
35168152 10.1016/j.ejmech.2022.114188 Staphylococcus aureus 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
1848296 10.1021/jm00107a039 Staphylococcus aureus 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 4
18426954 10.1124/dmd.108.020479 ADMET 4
18457383 10.1021/jm701428b Enterococcus faecalis 4
1848296 10.1021/jm00107a039 Bacteria 4
17325221 10.1128/aac.01282-06 Mycobacterium leprae 4
18457383 10.1021/jm701428b Streptococcus pneumoniae 4
31803393 10.1039/C9MD00120D ADMET 4

Data from ChEMBL 36 via Core Engine