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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL240163
CHEMBL240163
Compound Name PAZUFLOXACIN
ChEMBL Synonyms PAZUFLOXACIN
Max Phase 1
Trade Names
Molecular Formula C16H15FN2O4

Additional synonyms for CHEMBL240163 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1COc2c3N1C=C(C(=O)O)C(=O)c3cc(F)c2C4(N)CC4
Standard InChI InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8- ...
Download InChI
Standard InChI Key XAGMUUZPGZWTRP-ZETCQYMHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL240163

Molecule Features

CHEMBL240163 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Otitis MediaD010033EFO:0004992Otitis media1ClinicalTrials

Clinical Data

ClinicalTrials.gov PAZUFLOXACIN
The Cochrane Collaboration PAZUFLOXACIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL240163. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 0.358

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 0.484

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
318.3 318.1016 1.74 2 94.55 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.05 7.08 .12 -2.45 2 23 0.88

Structural Alerts

There are 2 structural alerts for CHEMBL240163. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01M - QUINOLONE ANTIBACTERIALS
J01MA - Fluoroquinolones
J01MA18 - pazufloxacin

ChemSpider ChemSpider:XAGMUUZPGZWTRP-ZETCQYMHSA-N
PubChem SID: 144206084 SID: 170465985 SID: 26719888 SID: 49681761 SID: 50112787

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL240163



ACToR 127045-41-4
ChEBI 94700
ChemicalBook CB2423188
DrugBank DB11774
DrugCentral 2070
eMolecules 2723604
EPA CompTox Dashboard DTXSID5046697
FDA SRS 4CZ1R38NDI
IBM Patent System 03A096B7582329114A89933983F1C2C4
LINCS LSM-5745
MolPort MolPort-003-849-794
NIH Clinical Collection SAM001246742
Nikkaji J523.176K
PubChem 65957 40466872
PubChem: Drugs of the Future 12014548
PubChem: Thomson Pharma 14752565 14923707
SureChEMBL SCHEMBL34460
ZINC ZINC000003779726

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XAGMUUZPGZWTRP-ZETCQYMHSA-N spacer
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