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
ChEBI ID
CHEMBL302783
CAS Number
81338-23-0
TTD ID
D01LDO
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.