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
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
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
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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 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.