Details of the Drug

General Information of Drug (ID: DMRU0IB)

• Drug Name: (8-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid
• Synonyms: CHEMBL64312; (8-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid; BDBM50022245

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #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-(8-hydroxy-2-oxoquinolin-1-yl)acetic acid
  Canonical SMILES: C1=CC2=C(C(=C1)O)N(C(=O)C=C2)CC(=O)O
  InChI: InChI=1S/C11H9NO4/c13-8-3-1-2-7-4-5-9(14)12(11(7)8)6-10(15)16/h1-5,13H,6H2,(H,15,16)
  InChIKey: YRQSYBRKGTYSAL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 13683079
  TTD ID: D07GTX

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 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

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.