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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1208
CHEMBL1208
Compound Name CINOXACIN
ChEMBL Synonyms 64716 | CINOBAC | CINOXACIN
Max Phase 4 (Approved)
Trade Names CINOXACIN | CINOBAC
Molecular Formula C12H10N2O5

Additional synonyms for CHEMBL1208 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12
Standard InChI InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10 ...
Download InChI
Standard InChI Key VDUWPHTZYNWKRN-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • 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


CHEMBL1208

Molecule Features

CHEMBL1208 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial DNA gyrase inhibitor Bacterial DNA gyrase FDA ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials

Clinical Data

ClinicalTrials.gov CINOXACIN
The Cochrane Collaboration CINOXACIN

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 CHEMBL1208. 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
CHEMBL4566 Endothelin receptor ET-A Rattus norvegicus 1.000
CHEMBL1075280 Dual specificity protein kinase CLK1 Mus musculus 0.997
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.975
CHEMBL252 Endothelin receptor ET-A Homo sapiens 0.971
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.964
CHEMBL1785 Endothelin receptor ET-B Homo sapiens 0.855
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.598
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.584
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.554
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.537
CHEMBL4631 Endothelin receptor ET-B Rattus norvegicus 0.490
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 0.322
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.318



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4566 Endothelin receptor ET-A Rattus norvegicus 0.998
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.995
CHEMBL1075280 Dual specificity protein kinase CLK1 Mus musculus 0.990
CHEMBL252 Endothelin receptor ET-A Homo sapiens 0.869
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.746
CHEMBL1827 Phosphodiesterase 5A Homo sapiens 0.742
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.665
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.640
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.608
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.573
CHEMBL1785 Endothelin receptor ET-B Homo sapiens 0.524
CHEMBL1293255 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens 0.515
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.511
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.255

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
262.2 262.059 0.84 2 90.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.33 .49 -3.25 2 19 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL1208. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01M - QUINOLONE ANTIBACTERIALS
J01MB - Other quinolones
J01MB06 - cinoxacin

ChemSpider ChemSpider:VDUWPHTZYNWKRN-UHFFFAOYSA-N
PubChem SID: 11110995 SID: 11110996 SID: 144203672 SID: 170465414 SID: 50104192 SID: 50104193 SID: 56422419 SID: 85230984 SID: 855948 SID: 90341598
Wikipedia Cinoxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1208



ACToR 28657-80-9
BindingDB 39350
ChEBI 3716
DrugBank DB00827
DrugCentral 657
eMolecules 536545
EPA CompTox Dashboard DTXSID8022822
FDA SRS LMK22VUH23
Human Metabolome Database HMDB0014965
IBM Patent System B4E3D2311BD0B1DA5A3FA8BCA716E112
KEGG Ligand C08052
LINCS LSM-6552
Mcule MCULE-3390574434
MolPort MolPort-001-794-447
Nikkaji J3.169K
PharmGKB PA449007
PubChem 2762
PubChem: Drugs of the Future 12015380
PubChem: Thomson Pharma 15490737
SureChEMBL SCHEMBL43770
ZINC ZINC000000032350

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