Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5VX4P0JKC5

Structure

InChI Key DMJHZVARRXJSEG-UHFFFAOYSA-N
Smile Nc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1
InChI
InChI=1S/C21H11F6N5/c22-20(23,24)15-6-4-13(5-7-15)16-9-17(21(25,26)27)32-19(31-16)14(11-30-32)3-1-12-2-8-18(28)29-10-12/h2,4-11H,(H2,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H11F6N5
Molecular Weight 447.34
AlogP 4.81
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 69.1
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Metabotropic glutamate receptor 2 modulator Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 2 D003865 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3301593
DrugBank DB11923
FDA SRS 5VX4P0JKC5
PubChem 71533696
SureChEMBL SCHEMBL1346277
ZINC ZINC000115922684