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Compound Detail

CHEMBL1428564

PEFLOXACIN MESYLATE
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CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1428564
Name PEFLOXACIN MESYLATE
Phase Preclinical
Structure Type MOL
InChI Key HQQSBEDKMRHYME-UHFFFAOYSA-N
Parent Compound CHEMBL267648
Active Moiety CHEMBL267648

Known Names

41 982 RP 41-982-RP NSC-758944 Pefloxacin mesilate Pefloxacin mesylate Pefloxacin methanesulfonate Pefloxacin methanesulfonate anhydrous
4
Targets
10
Activities
2
Assay Types
0
PK Parameters
14
Publications
7
Known Names

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 1987

Extended Properties

Molecular Formula C18H24FN3O6S
MW 429.47
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.11

Activity Summary

IC50 7 meas. best 6.37
EC50 3 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.37 5.9529 427.0 7
Streptococcus sp. 'group A'
CHEMBL612389
 EC50 4.92 4.92 12120.0 1
Streptococcus
CHEMBL612313
 EC50 4.87 4.87 13354.0 1
Streptokinase A
CHEMBL1293228
 EC50 4.82 4.82 15102.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 430.0 nM 6.37 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 427.0 nM 6.37 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 1230.0 nM 5.91 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -
Unchecked IC50 = 1460.0 nM 5.84 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 2150.0 nM 5.67 PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... -
Unchecked IC50 = 3059.0 nM 5.51 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... -
Streptococcus sp. 'group A' EC50 = 12120.0 nM 4.92 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... -
Streptococcus EC50 = 13354.0 nM 4.87 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... -
Streptokinase A EC50 = 15102.0 nM 4.82 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1
- 10.6019/CHEMBL4513141 HEK293 1

Data from ChEMBL 36 via Core Engine