General Information of Drug (ID: DMQJ5RU)

Drug Name
(6-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid
Synonyms CHEMBL291659; (6-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid; BDBM50022252
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 219.19
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C11H9NO4
IUPAC Name
2-(6-hydroxy-2-oxoquinolin-1-yl)acetic acid
Canonical SMILES
C1=CC2=C(C=CC(=O)N2CC(=O)O)C=C1O
InChI
InChI=1S/C11H9NO4/c13-8-2-3-9-7(5-8)1-4-10(14)12(9)6-11(15)16/h1-5,13H,6H2,(H,15,16)
InChIKey
VDYFIKQEBBKQES-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13683080
TTD ID
D0F6TM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aldose reductase (AKR1B1) TTFBNVI ALDR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Aldose reductase (AKR1B1) DTT AKR1B1 1.08E-20 0.94 1.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and aldose reductase inhibitory activity of substituted 2-oxoquinoline-1-acetic acid derivatives. J Med Chem. 1986 Oct;29(10):2024-8.