EVT-101

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Synonyms
Status
Molecule Category Mixture
UNII B55T45AA8F

Structure

InChI Key BOVUHBFXPNLTKF-UHFFFAOYSA-N
Smiles Cc1nccn1Cc1cc(-c2ccc(F)c(C(F)F)c2)cnn1
InChI
InChI=1S/C16H13F3N4/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19/h2-8,16H,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15Cl2F3N4
Molecular Weight 391.22
AlogP 3.77
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 43.6
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Glutamate NMDA receptor; GRIN1/GRIN2B antagonist ANTAGONIST
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 12 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 12 - - -

Target Conservation

Protein: Glutamate NMDA receptor; GRIN1/GRIN2B
Description: Glutamate receptor ionotropic, NMDA 1
Organism : Homo sapiens
Q05586 ENSG00000176884
Protein: Glutamate NMDA receptor; GRIN1/GRIN2B
Description: Glutamate receptor ionotropic, NMDA 2B
Organism : Homo sapiens
Q13224 ENSG00000273079

Cross References

Resources Reference
ChEMBL CHEMBL3545349
DrugBank DB05956
FDA SRS B55T45AA8F
PubChem 72941990
ChEMBL CHEMBL3545350
FDA SRS 14DN1WB87S
PDB 5SM
PubChem 72941990
SureChEMBL SCHEMBL2348935
ZINC ZINC000118695150
CONTENTS