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Compound Detail

CHEMBL363449

NADIFLOXACIN
🧪 Phase III
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🧪 Phase III
CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363449
Name NADIFLOXACIN
Phase Phase III
Structure Type MOL
InChI Key JYJTVFIEFKZWCJ-UHFFFAOYSA-N

Known Names

Acuatim Jinofloxacin Nadifloxacin Nadifloxacine Nadifloxacino NSC-759622 OPC 7251 OPC-7251
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
8
Known Names
1
Indications
2
Mechanisms

Molecular Properties

360.4
MW (Da)
2.31
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -oxacin

Extended Properties

Molecular Formula C19H21FN2O4
MW 360.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.23

Mechanism of Action

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

Indications

Acne Vulgaris

ATC Classification

D10AF05
nadifloxacin
Level 1: DERMATOLOGICALS
Level 2: ANTI-ACNE PREPARATIONS

Activity Summary

IC50 6 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.52 5.1333 3020.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3020.0 nM 5.52 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 4439.0 nM 5.35 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 6240.0 nM 5.21 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 6560.0 nM 5.18 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 15260.0 nM 4.82 PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... -
Unchecked IC50 = 18910.0 nM 4.72 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -

Literature References

PubMed DOI Target Context # Activities
16078842 10.1021/jm050035f Staphylococcus aureus 4
16078842 10.1021/jm050035f No relevant target 3
16078842 10.1021/jm050035f DNA gyrase 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
16078842 10.1021/jm050035f DNA topoisomerase 4 subunit A 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
- 10.6019/CHEMBL4513161 Escherichia coli 1

Data from ChEMBL 36 via Core Engine