Synonyms
Status
Molecule Category Free-form
ATC N05BA03
UNII P0J3387W3S
EPA CompTox DTXSID1048708

Structure

InChI Key YLCXGBZIZBEVPZ-UHFFFAOYSA-N
Smiles CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21
InChI
InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15ClN2
Molecular Weight 270.76
AlogP 3.63
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 15.6
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
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Related Entries

Cross References

Resources Reference
ChEBI 31807
ChEMBL CHEMBL28333
DrugBank DB13437
DrugCentral 1654
FDA SRS P0J3387W3S
PubChem 4041
SureChEMBL SCHEMBL18472
ZINC ZINC000000001659