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Compound Detail

CHEMBL267648

PEFLOXACIN
🧪 Phase II
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🧪 Phase II
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267648
Name PEFLOXACIN
Phase Phase II
Structure Type MOL
InChI Key FHFYDNQZQSQIAI-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

1589 RB 1589-RB EU-5306 Pefloxacin Pefloxacine Pefloxacino
0
Targets
2
Activities
1
Assay Types
11
PK Parameters
20
Publications
6
Known Names
1
Indications
2
Mechanisms

Molecular Properties

333.4
MW (Da)
1.61
ALogP
5
HBA
1
HBD
65.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -oxacin
USAN Year 1981

Extended Properties

Molecular Formula C17H20FN3O3
MW 333.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.11

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Bacterial DNA gyrase inhibitor INHIBITOR Bacterial DNA gyrase ✓ ✓
Topoisomerase IV inhibitor INHIBITOR Topoisomerase IV ✓ ✓

Indications

Bacterial Infections

ATC Classification

J01MA03
pefloxacin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE

Activity Summary

IC50 2 meas.

Pharmacokinetic Data

Parameter Value Units Species
CL 5.0 mL.min-1.g-1 Homo sapiens
CL 2.0 mL.min-1.kg-1 Homo sapiens
CL 1.9 mL.min-1.kg-1 Homo sapiens
CL 2.0 mL.min-1.kg-1 Homo sapiens
CL 2.0 mL.min-1.kg-1 Homo sapiens
F 91.25 % Eutheria
F 95.0 % Homo sapiens
Fu 0.75 - Homo sapiens
Fu 0.75 - Homo sapiens
MRT 13.0 hr Homo sapiens
T1/2 11.0 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
18725440 10.1128/aac.00082-08 Streptococcus pneumoniae 38
17470656 10.1128/aac.00143-07 Escherichia coli 15
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
20070106 10.1021/jm901371v Homo sapiens 8
18644958 10.1128/aac.00638-08 Escherichia coli 6
19822706 10.1128/aac.00733-09 ADMET 6
3007757 10.1021/jm00154a003 Mus musculus 6
2498519 10.1021/jm00126a028 Staphylococcus aureus 6
18086852 10.1128/aac.00732-07 Acinetobacter baumannii 6
3005575 10.1021/jm00153a015 DNA topoisomerase 2-beta 6
1732554 10.1021/jm00080a023 Mus musculus 5
2498519 10.1021/jm00126a028 Escherichia coli 5
29360043 10.1016/j.ejmech.2018.01.039 Plasmodium falciparum 4
16019946 10.1080/00498250400028197 ADMET 4
18426954 10.1124/dmd.108.020479 ADMET 4
1732554 10.1021/jm00080a023 Escherichia coli 4
16078842 10.1021/jm050035f No relevant target 4
17325221 10.1128/aac.01282-06 Mycobacterium leprae 4
3275778 10.1021/jm00396a035 Escherichia coli 4

Data from ChEMBL 36 via Core Engine