Synonyms
Status
Molecule Category Free-form
UNII FX5AUU7Z8T
EPA CompTox DTXSID70162846

Structure

InChI Key BDABGOLMYNHHTR-UHFFFAOYSA-N
Smiles O=c1c2c(c1=O)N(CCP(=O)(O)O)CCCN2
InChI
InChI=1S/C9H13N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h10H,1-5H2,(H2,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N2O5P
Molecular Weight 260.19
AlogP -0.92
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 106.94
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Glutamate [NMDA] receptor antagonist ANTAGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 7.6-30 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 23-30 - - -

Target Conservation

Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 2D

Organism : Homo sapiens

O15399 ENSG00000105464
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 3B

Organism : Homo sapiens

O60391 ENSG00000116032
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 1

Organism : Homo sapiens

Q05586 ENSG00000176884
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 2A

Organism : Homo sapiens

Q12879 ENSG00000183454
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 2B

Organism : Homo sapiens

Q13224 ENSG00000273079
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 2C

Organism : Homo sapiens

Q14957 ENSG00000161509
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 3A

Organism : Homo sapiens

Q8TCU5 ENSG00000198785

Cross References

Resources Reference
ChEMBL CHEMBL452461
DrugBank DB12365
FDA SRS FX5AUU7Z8T
PubChem 6918236
SureChEMBL SCHEMBL371400
ZINC ZINC000026496985