Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MQ908Y1ZB2

Structure

InChI Key SXWHYTICXCLKDG-GFCCVEGCSA-N
Smile C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1cc(-c2cccc(Cl)c2)on1
InChI
InChI=1S/C19H16ClN5O2/c1-12(16-11-17(27-24-16)14-4-3-5-15(20)10-14)26-19-23-22-18(25(19)2)13-6-8-21-9-7-13/h3-12H,1-2H3/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16ClN5O2
Molecular Weight 381.82
AlogP 4.33
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 78.86
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Metabotropic glutamate receptor 5 modulator PMC PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 2 D010146 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials
Diabetic Neuropathies 2 D003929 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Gastroesophageal Reflux 1 D005764 ClinicalTrials
Chronic Pain 1 D059350 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545164
DrugBank DB12644
FDA SRS MQ908Y1ZB2
SureChEMBL SCHEMBL1848325
ZINC ZINC000034885049