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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL310555
CHEMBL310555
Compound Name OXYQUINOLINE
ChEMBL Synonyms OXYQUINOLINE SULFATE | Quinosol | OXYQUINOLINE | 8-Hydroxyquinoline Sulfate
Max Phase 0
Trade Names
Molecular Formula C9H7NO

Additional synonyms for CHEMBL310555 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cccc2cccnc12
Standard InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
Standard InChI Key MCJGNVYPOGVAJF-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL310555

Molecule Features

CHEMBL310555 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule 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
InfectionD007239EFO:0000544infection0ATC

Clinical Data

ClinicalTrials.gov OXYQUINOLINE
The Cochrane Collaboration OXYQUINOLINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
145.2 145.0528 1.94 0 33.12 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.06 9.81 1.9 .82 2 11 0.61

Structural Alerts

There are no structural alerts for CHEMBL310555

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R02 - THROAT PREPARATIONS
R02A - THROAT PREPARATIONS
R02AA - Antiseptics
R02AA14 - oxyquinoline

D - DERMATOLOGICALS
D08 - ANTISEPTICS AND DISINFECTANTS
D08A - ANTISEPTICS AND DISINFECTANTS
D08AH - Quinoline derivatives
D08AH03 - oxyquinoline

G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AC - Quinoline derivatives
G01AC30 - oxyquinoline

A - ALIMENTARY TRACT AND METABOLISM
A01 - STOMATOLOGICAL PREPARATIONS
A01A - STOMATOLOGICAL PREPARATIONS
A01AB - Antiinfectives and antiseptics for local oral treatment
A01AB07 - oxyquinoline

ChemSpider ChemSpider:MCJGNVYPOGVAJF-UHFFFAOYSA-N
PubChem SID: 144064 SID: 144206634 SID: 144210184 SID: 144213967 SID: 17389213 SID: 17389852 SID: 24724293 SID: 26752756 SID: 49826123 SID: 68737
Wikipedia 8-Hydroxyquinoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL310555



ACToR 123574-67-4 148-24-3 134-30-5
BindingDB 32203
Brenda 16053 12185 321 12557 39068 83139
ChEBI 48981
ChemicalBook CB8435187
DrugBank DB11145
DrugCentral 3290
eMolecules 484717
EPA CompTox Dashboard DTXSID5020730
FDA SRS 5UTX5635HP
IBM Patent System 8246A914460CBF3A9FEEC0CD0D2EC589
KEGG Ligand C19434
Mcule MCULE-7753869266
MolPort MolPort-000-139-947
Nikkaji J2.960B
NMRShiftDB 10018370
PDBe HQY
PubChem 1923
PubChem: Thomson Pharma 15170833
Rhea 48981
SureChEMBL SCHEMBL37189
ZINC ZINC000000008492

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