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
CHEBI:48981
CAS Number
148-24-3
UNII
5UTX5635HP
DrugBank ID
DB11145
TTD ID
D0FO2B

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]
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMGCR) OTRT3F3U HMDH_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]
Adenosine 3'-phospho 5'-phosphosulfate transporter 2 (SLC35B3) OTBDPI8I S35B3_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]
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.