Details of the Drug

General Information of Drug (ID: DMSY4CK)

• Drug Name: (R)-2-Amino-5-phosphono-pentanoic acid
• Synonyms: 76326-31-3; 5-Phosphononorvaline; DL-AP5; 2-Amino-5-phosphonopentanoic acid; 2-Amino-5-phosphovaleric acid; DL-2-Amino-5-phosphonopentanoic acid; 2-Amino-5-phosphopentanoic acid; 2-Amino-5-phosphonovaleric Acid; 2-AMINO-5-PHOSPHONOVALERATE; DL-2-Amino-5-phosphonovaleric acid; dl-APV; 2-Amino-5-phosphonopentanoate; AP-5; Norvaline, 5-phosphono-; 76726-92-6; CHEMBL28862; CHEBI:138644; 2-Amino-5-phosphono-pentanoic acid; (+/-)-Amino-5-phosphono-pentanoic acid; (+/-)-2-Amino-5-phosphonopentanoic acid; App acid; C5H12NO5P; Apv acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 197.13
  Logarithm of the Partition Coefficient (xlogp); -5.3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C5H12NO5P
  IUPAC Name: 2-amino-5-phosphonopentanoic acid
  Canonical SMILES: C(CC(C(=O)O)N)CP(=O)(O)O
  InChI: InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)
  InChIKey: VOROEQBFPPIACJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1216
  ChEBI ID: CHEBI:138644
  CAS Number: 76326-31-3
  TTD ID: D09ISB

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]

References

• [1] Synthesis and pharmacology of N1-substituted piperazine-2,3-dicarboxylic acid derivatives acting as NMDA receptor antagonists. J Med Chem. 2005 Apr 7;48(7):2627-37.