Structure

InChI Key FWUQWDCOOWEXRY-ZDUSSCGKSA-N
Smiles N[C@@H](Cc1ccccn1)c1ccccc1
InChI
InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14N2
Molecular Weight 198.27
AlogP 2.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 38.91
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Glutamate [NMDA] receptor blocker BLOCKER PubMed Wikipedia Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- - - 560 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 560 -

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 CHEMBL467084
DrugBank DB11889
FDA SRS 9TMU325RK3
Guide to Pharmacology 7681
SureChEMBL SCHEMBL1422817
ZINC ZINC000000006163