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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278255
CHEMBL278255
Compound Name CLINAFLOXACIN
ChEMBL Synonyms CLINAFLOXACIN | CLINAFLOXACIN HYDROCHLORIDE | CI-960 HCL
Max Phase 0
Trade Names
Molecular Formula C17H17ClFN3O3

Additional synonyms for CHEMBL278255 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2Cl)C(=O)O
Standard InChI InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(2 ...
Download InChI
Standard InChI Key QGPKADBNRMWEQR-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL278255

Molecule Features

CHEMBL278255 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CLINAFLOXACIN
The Cochrane Collaboration CLINAFLOXACIN

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 CHEMBL278255. 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 0.238
CHEMBL4683 Fibroblast activation protein alpha Homo sapiens 0.208

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4088 Topoisomerase IV subunit A Staphylococcus aureus 1.000
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.779
CHEMBL4683 Fibroblast activation protein alpha Homo sapiens 0.545
CHEMBL2147 Serine/threonine-protein kinase PIM1 Homo sapiens 0.412

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
365.8 365.0942 2.36 3 88.56 ZWITTERION


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
6.39 9.1 2.45 .5 2 25 0.87

Structural Alerts

There are 2 structural alerts for CHEMBL278255. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QGPKADBNRMWEQR-UHFFFAOYSA-N
PubChem SID: 26658614
Wikipedia Clinafloxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278255



ACToR 105956-97-6
Brenda 2249
ChEBI 94459
DrugBank DB14025
DrugCentral 677
eMolecules 4553409 30344857
IBM Patent System 04CAE1CAF6EDA975DD97AA1100F35CD5
LINCS LSM-5183
Mcule MCULE-2071757352
MolPort MolPort-000-777-908 MolPort-001-738-622
Nikkaji J356.773G
PubChem 60063 4921596
PubChem: Drugs of the Future 12013958
PubChem: Thomson Pharma 14755018
Selleck clinafloxacin-pd127391
SureChEMBL SCHEMBL33959

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