Structure

InChI Key IJHNSHDBIRRJRN-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
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
- 33000 - - 25

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Common Cold 3 D003139 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 91591
ChEMBL CHEMBL1193
DrugBank DB01620
DrugCentral 2132
EPA CompTox DTXSID0023454
FDA SRS 134FM9ZZ6M
Human Metabolome Database HMDB0015557
Guide to Pharmacology 7267
PharmGKB PA164744506
PubChem 4761
SureChEMBL SCHEMBL4796