Structure

InChI Key GFHAXPJGXSQLPT-VIFPVBQESA-N
Smile NC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl
InChI
InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10ClN5O2
Molecular Weight 267.68
AlogP 1.16
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 95.92
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator FDA PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Epilepsy 4 D004827 ClinicalTrials
Epilepsies, Partial 3 D004828 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 913088-80-9
ChEMBL CHEMBL3989949
DrugBank DB06119
DrugCentral 5355
FDA SRS P85X70RZWS
Guide to Pharmacology 10773
PubChem 11962412
SureChEMBL SCHEMBL1682643