Details of the Drug

General Information of Drug (ID: DMBU942)

• Drug Name: AP-7
• Synonyms: 2-Amino-7-phosphonoheptanoic acid; DL-AP7; 78966-69-5; DL-2-Amino-7-phosphonoheptanoic acid; NSC672105; 85797-13-3; BRN 3544152; CHEMBL274440; Heptanoic acid, 2-amino-7-phosphono-, (+-)-; 2-Amino-7-phosphono-heptanoic acid; Heptanoic acid, 2-amino-7-phosphono-; (+/-)-2-Amino-7-phosphonoheptanoic acid; C7H16NO5P; AP-7 compound; L(+)-2-Amino-7-phosphonoheptanoic acid; AP-7 (drug); AC1L1F7W; Lopac0_000008; SCHEMBL154303; CTK7D4156; ( inverted question mark)-AP-7; MYDMWESTDPJANS-UHFFFAOYSA-N; MolPort-002-514-441

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); 225.18
  Logarithm of the Partition Coefficient (xlogp); -3.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C7H16NO5P
  IUPAC Name: 2-amino-7-phosphonoheptanoic acid
  Canonical SMILES: C(CCC(C(=O)O)N)CCP(=O)(O)O
  InChI: InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)
  InChIKey: MYDMWESTDPJANS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3122
  CAS Number: 85797-13-3
  TTD ID: D0OZ2F

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] Bioisosteric replacement of the alpha-amino carboxylic acid functionality in 2-amino-5-phosphonopentanoic acid yields unique 3,4-diamino-3-cyclobut... J Med Chem. 1992 Dec 11;35(25):4720-6.