BASIMGLURANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3110E3AO8S

Structure
InChI Key UPZWINBEAHDTLA-UHFFFAOYSA-N
Smile Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
InChI
InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H13ClFN3
Molecular Weight 325.77
AlogP 4.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 30.71
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Metabotropic glutamate receptor 5 modulator Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 7100 - - -
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) Metabotropic glutamate receptor
- 7 - 36 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fragile X Syndrome 2 D005600 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3301626
DrugBank DB11833
FDA SRS 3110E3AO8S
Guide to Pharmacology 9309
SureChEMBL SCHEMBL560590
ZINC ZINC000006716839
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