Details of the Drug

General Information of Drug (ID: DMTYXFU)

Drug Name
(6-Methoxy-2-oxo-2H-quinolin-1-yl)-acetic acid
Synonyms CHEMBL305164; 6-methoxy-2-oxo-1,2-dihydro-1-quinolineacetic acid; 103368-22-5; (6-Methoxy-2-oxo-2H-quinolin-1-yl)-acetic acid; SCHEMBL8368861; BDBM50022249
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) 233.22
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H11NO4
IUPAC Name
2-(6-methoxy-2-oxoquinolin-1-yl)acetic acid
Canonical SMILES
COC1=CC2=C(C=C1)N(C(=O)C=C2)CC(=O)O
InChI
InChI=1S/C12H11NO4/c1-17-9-3-4-10-8(6-9)2-5-11(14)13(10)7-12(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKey
CHNXZDVEGNIZLG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13683078
CAS Number
103368-22-5
TTD ID
D0J7MD

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.