Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M03BX07
UNII: FO92091VP8

Structure

InChI Key IQWYAQCHYZHJOS-UHFFFAOYSA-N
Smile CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21
InChI
InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17ClN2O
Molecular Weight 288.78
AlogP 3.61
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 32.67
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135198
ChEMBL CHEMBL2105527
DrugBank DB13324
DrugCentral 2614
EPA CompTox DTXSID00146058
FDA SRS FO92091VP8
Human Metabolome Database HMDB0042029
PubChem 25215
SureChEMBL SCHEMBL157998
ZINC ZINC000000002144