RASEGLURANT

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Synonyms
Status
Molecule Category Free-form
UNII 66UCJ8Z8L1
EPA CompTox DTXSID40226707

Structure

InChI Key MEDCLNYIYBERKO-UHFFFAOYSA-N
Smiles Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1
InChI
InChI=1S/C15H13FN2/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12/h3-5,8-9H,17H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13FN2
Molecular Weight 240.28
AlogP 2.82
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Metabotropic glutamate receptor 5 modulator MODULATOR PMC PubMed 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
- 17 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 17 - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL3545036
FDA SRS 66UCJ8Z8L1
PubChem 10331863
SureChEMBL SCHEMBL3874524
ZINC ZINC000003821213
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