DIPRAGLURANT

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Synonyms
Status
Molecule Category Free-form
UNII CV8JZR21A1
EPA CompTox DTXSID90236230

Structure

InChI Key LZXMUJCJAWVHPZ-UHFFFAOYSA-N
Smiles Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1
InChI
InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H12FN3
Molecular Weight 265.29
AlogP 2.85
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 30.19
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Metabotropic glutamate receptor 5 modulator MODULATOR Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) Metabotropic glutamate receptor
- 20 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 20 - - -

Target Conservation

Protein: Metabotropic glutamate receptor 5
Description: Metabotropic glutamate receptor 5
Organism : Homo sapiens
P41594 ENSG00000168959

Cross References

Resources Reference
ChEMBL CHEMBL2346738
DrugBank DB12733
FDA SRS CV8JZR21A1
Guide to Pharmacology 6452
PubChem 44557636
SureChEMBL SCHEMBL103033
ZINC ZINC000072266314
CONTENTS