Details of the Drug

General Information of Drug (ID: DMS9QA7)

Drug Name
PMID27998201-Compound-22
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Patented [1]
Neurodegenerative disorder 8A20-8A23 Patented [1]
Osteoarthritis FA00-FA05 Patented [1]
Pancreatitis DC31-DC34 Patented [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 190.16
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H6N2O3
IUPAC Name
5-nitroquinolin-8-ol
Canonical SMILES
C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
InChIKey
RJIWZDNTCBHXAL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
19910
ChEBI ID
CHEBI:67121
CAS Number
4008-48-4
DrugBank ID
DB01422
TTD ID
D0KG9M
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cathepsin B (CTSB) TTF2LRI CATB_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Methionine aminopeptidase 2 (METAP2) OTNDI7YK MAP2_HUMAN Gene/Protein Processing [2]
NAD-dependent protein deacetylase sirtuin-1 (SIRT1) OTAYZMOY SIR1_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Cathepsin B and L inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2017 Jun;27(6):643-656.
2 Effect of nitroxoline on angiogenesis and growth of human bladder cancer. J Natl Cancer Inst. 2010 Dec 15;102(24):1855-73. doi: 10.1093/jnci/djq457. Epub 2010 Nov 18.
3 Repurposing of Nitroxoline Drug for the Prevention of Neurodegeneration. Chem Res Toxicol. 2019 Nov 18;32(11):2182-2191. doi: 10.1021/acs.chemrestox.9b00183. Epub 2019 Oct 22.