Details of the Drug

General Information of Drug (ID: DM56VPY)

• Drug Name: L-687414
• Synonyms: (3R,4R)-3-Amino-1-hydroxy-4-methylpyrrolidin-2-one; 130931-65-6; L-687414; CHEMBL283819; 132619-43-3; cis-3-amino-1-hydroxy-4-methylpyrrolidin-2-one; SCHEMBL561932; DTXSID00437953; SKYSFPFYQBZGDC-QWWZWVQMSA-N; ZINC3805040; BDBM50038169; AKOS006239328; KB-78073; AJ-45657; 3-Amino-1-hydroxy-4-methyl-pyrrolidin-2-one; r(+)-cis-beta-methyl-3-amino-1-hydroxypyrrolid-2-one
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 130.15
  Logarithm of the Partition Coefficient (xlogp); -1.1
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C5H10N2O2
  IUPAC Name: (3R,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one
  Canonical SMILES: C[C@@H]1CN(C(=O)[C@@H]1N)O
  InChI: InChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4-/m1/s1
  InChIKey: SKYSFPFYQBZGDC-QWWZWVQMSA-N
• Cross-matching ID:
  PubChem CID: 10313147
  CAS Number: 130931-65-6
  TTD ID: D0UB6U

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).