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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256815
CHEMBL1256815
Compound Name PRADOFLOXACIN
ChEMBL Synonyms PRADOFLOXACIN
Max Phase 0
Trade Names
Molecular Formula C21H21FN4O3

Additional synonyms for CHEMBL1256815 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1=CN(C2CC2)c3c(C#N)c(N4C[C@@H]5CCCN[C@@H]5C4)c(F)cc3C ...
Download SMILES
Standard InChI InChI=1S/C21H21FN4O3/c22-16-6-13-18(26(12-3-4-12)9-15(20(13) ...
Download InChI
Standard InChI Key LZLXHGFNOWILIY-APPDUMDISA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1256815

Molecule Features

CHEMBL1256815 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

Clinical Data

ClinicalTrials.gov PRADOFLOXACIN
The Cochrane Collaboration PRADOFLOXACIN

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 CHEMBL1256815. 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
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.987
CHEMBL4683 Fibroblast activation protein alpha Homo sapiens 0.969

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4088 Topoisomerase IV subunit A Staphylococcus aureus 1.000
CHEMBL4683 Fibroblast activation protein alpha Homo sapiens 1.000
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.999

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
396.4 396.1598 2.23 3 98.36 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.38 10.62 2.74 .24 2 29 0.83

Structural Alerts

There are 2 structural alerts for CHEMBL1256815. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LZLXHGFNOWILIY-APPDUMDISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256815



EPA CompTox Dashboard DTXSID60173229
FDA SRS 6O0T5E048I
IBM Patent System 47134F102AF8E4F012A6EE7B2472C9F5
Nikkaji J2.568.799J
PubChem 9802884
PubChem: Thomson Pharma 26693085 14878875
SureChEMBL SCHEMBL150884
ZINC ZINC000003827732

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