Structure

InChI Key IJHNSHDBIRRJRN-UHFFFAOYSA-N
Smiles CN(C)CCC(c1ccccc1)c1ccccn1
InChI
InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20N2
Molecular Weight 240.35
AlogP 3.17
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 24.9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 24.9

Related Entries

Environmental Exposure

Countries
Germany
Hungary
Romania
Serbia
Slovakia

Cross References

Resources Reference
ChEBI 91591
ChEMBL CHEMBL1193
DrugBank DB01620
DrugCentral 2132
FDA SRS 134FM9ZZ6M
Human Metabolome Database HMDB0015557
Guide to Pharmacology 7267
PharmGKB PA164744506
PubChem 4761
SureChEMBL SCHEMBL4796