RASEGLURANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 66UCJ8Z8L1

Structure
InChI Key MEDCLNYIYBERKO-UHFFFAOYSA-N
Smile 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
Number of Rotational Bond 0.0
Polar Surface Area 38.91
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Metabotropic glutamate receptor 5 modulator
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.9822
Enzyme Transferase
- - - - 2.649
Enzyme
- - - - 0.9822
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 74.19-102.56
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - - 10.21
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 0.26
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 8.38
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - - 16.2
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) Metabotropic glutamate receptor
- 17 - - -
Membrane receptor
- 17 - - 0.26
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 344.55

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroesophageal Reflux 2 D005764 ClinicalTrials
Migraine Disorders 2 D008881 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545036
EPA CompTox DTXSID40226707
FDA SRS 66UCJ8Z8L1
PubChem 10331863
SureChEMBL SCHEMBL3874524
ZINC ZINC000003821213
CONTENTS