Details of the Drug

General Information of Drug (ID: DM4XEHR)

Drug Name
(R)-2-Amino-7-phosphono-heptanoic acid
Synonyms
81338-23-0; UNII-89FET0690I; (2R)-2-amino-7-phosphonoheptanoic acid; D(-)-2-Amino-7-phosphonoheptanoic acid; Heptanoic acid, 2-amino-7-phosphono-, (2R)-; CHEMBL302783; 89FET0690I; D-(-)-2-Amino-7-phosphonoheptanoic acid; (R)-AP7; D-(-)-2-Amino-7-phosphonoheptanoate; AC1LUTYN; Tocris-0164; Tocris-0104; Lopac-A-167; Lopac-A-5157; Lopac0_000157; SCHEMBL9848541; ZINC1856281; BDBM50017226; STL526509; BN0090; AKOS024456719; CCG-204252
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
(2R)-2-amino-7-phosphonoheptanoic acid
Canonical SMILES
C(CC[C@H](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)/t6-/m1/s1
InChIKey
MYDMWESTDPJANS-ZCFIWIBFSA-N
Cross-matching ID
PubChem CID
1617430
CAS Number
81338-23-0
TTD ID
D01LDO

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.