Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05BA21
UNII: ZCN055599V

Structure

InChI Key CHBRHODLKOZEPZ-UHFFFAOYSA-N
Smile CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl
InChI
InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15ClN2OS
Molecular Weight 318.83
AlogP 3.78
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 32.67
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31425
ChEMBL CHEMBL1697737
DrugBank DB01559
DrugCentral 718
EPA CompTox DTXSID0022852
FDA SRS ZCN055599V
Human Metabolome Database HMDB0015512
PharmGKB PA164752437
PubChem 2811
SureChEMBL SCHEMBL44592
ZINC ZINC000000001207