Details of the Drug

General Information of Drug (ID: DMZVS9Y)

Drug Name
OXYQUINOLINE
Synonyms
8-HYDROXYQUINOLINE; quinolin-8-ol; 8-quinolinol; 148-24-3; Oxyquinoline; Oxine; Quinophenol; 8-Quinol; 8-Oxyquinoline; Phenopyridine; Oxychinolin; Bioquin; Oxybenzopyridine; Oxin; Hydroxybenzopyridine; 1-Azanaphthalene-8-ol; Tumex; 8-Chinolinol; 8-Hydroxychinolin; 8-OQ; 8-Hydroxy-chinolin; Fennosan H 30; Fennosan; o-Oxychinolin; 8-Oxychinolin; Usaf ek-794; Fennosan HF-15; NCI-C55298; NSC 2039; Oxyquinoline [USAN]; Caswell No. 719; Oxoquinoline; 8-Chinolinol [Czech]; o-Oxychinolin [German]; Quinoline, 8-hydroxy-; NSC 615011; UNII-5UTX5635HP
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Staphylococcus aureusEscherichia coliKlebsiella pneumoniaePseudomonas aeruginosaAspergillis, Candida and other fungiTrichomonas vaginalis, Giardia duodenalis, and Entamoeba histolyticaPseudomonas cepacia Pseudomonas fluorescensPenicillium notatum
ATC Code
A01AB07: OXYQUINOLINE
A01AB: Antiinfectives and antiseptics for local oral treatment
A01A: STOMATOLOGICAL PREPARATIONS
A01: STOMATOLOGICAL PREPARATIONS
A: ALIMENTARY TRACT AND METABOLISM
D08AH03: OXYQUINOLINE
D08AH: Quinoline derivatives
D08A: ANTISEPTICS AND DISINFECTANTS
D08: ANTISEPTICS AND DISINFECTANTS
D: DERMATOLOGICALS
G01AC30: OXYQUINOLINE
G01AC: Quinoline derivatives
G01A: ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G: GENITO URINARY SYSTEM AND SEX HORMONES
R02AA14: OXYQUINOLINE
R02AA: Antiseptics
R02A: THROAT PREPARATIONS
R02: THROAT PREPARATIONS
R: RESPIRATORY SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 145.16
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H7NO
IUPAC Name
quinolin-8-ol
Canonical SMILES
C1=CC2=C(C(=C1)O)N=CC=C2
InChI
InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
InChIKey
MCJGNVYPOGVAJF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1923
ChEBI ID
CHEMBL48981
CAS Number
148-24-3
UNII
5UTX5635HP
DrugBank ID
DB11145
TTD ID
D0FO2B
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Methionine aminopeptidase 2 (METAP2) TTZL0OI MAP2_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (CYP24A1) OTG2T749 CP24A_HUMAN Gene/Protein Processing [2]
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) OT25JBA3 F263_HUMAN Gene/Protein Processing [2]
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) OTZ092ZJ THIC_HUMAN Gene/Protein Processing [2]
Acyl-CoA dehydrogenase family member 11 (ACAD11) OT3T9HAX ACD11_HUMAN Gene/Protein Processing [2]
Adenylosuccinate synthetase isozyme 1 (ADSS1) OTF6FE38 PURA1_HUMAN Gene/Protein Processing [2]
Aldo-keto reductase family 1 member B10 (AKR1B10) OTOA4HTH AK1BA_HUMAN Gene/Protein Processing [2]
Aldo-keto reductase family 1 member C1 (AKR1C1) OTQKR4CM AK1C1_HUMAN Gene/Protein Processing [2]
Aldo-keto reductase family 1 member C2 (AKR1C2) OTQ2XMO3 AK1C2_HUMAN Gene/Protein Processing [2]
All-trans-retinol dehydrogenase ADH4 (ADH4) OTKDKKNG ADH4_HUMAN Gene/Protein Processing [2]
Aminoacylase-1 (ACY1) OT9WU7X3 ACY1_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors, Bioorg. Med. Chem. Lett. 20(14):4038-4044 (2010).
2 Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.