Details of the Drug

General Information of Drug (ID: DMT1DNS)

• Drug Name: L-695902
• Synonyms: L-695902; CHEMBL104297; SCHEMBL8018550; AKOS022507211; methyl 7-chloro-2,4-dihydroxy-3-quinolinecarboxylate; methyl 7-chloro-2,4-dihydroxyquinoline-3-carboxylate
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 253.64
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H8ClNO4
  IUPAC Name: methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
  Canonical SMILES: COC(=O)C1=C(C2=C(C=C(C=C2)Cl)NC1=O)O
  InChI: InChI=1S/C11H8ClNO4/c1-17-11(16)8-9(14)6-3-2-5(12)4-7(6)13-10(8)15/h2-4H,1H3,(H2,13,14,15)
  InChIKey: GEUWRNTWGHPTPU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 54695867
  TTD ID: D03WYF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	DTT	GRIN2B	7.51E-01	-0.06	-0.32
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	DTT	GRIN1	1.12E-01	-0.5	-1.8
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	DTT	GRIN2A	8.43E-01	-0.37	-0.45

References

• [1] Amino acid bioisosteres: design of 2-quinolone derivatives as glycine-site N-methyl-D-aspartate receptor antagonists, Bioorg. Med. Chem. Lett. 3(2):299-304 (1993).