Structure

InChI Key INWLQCZOYSRPNW-UHFFFAOYSA-N
Smiles Cc1cccc(C)c1NC(=O)C1CCCCN1C
InChI
InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22N2O
Molecular Weight 246.35
AlogP 2.73
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 1.0
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
- - - - 5.3-29.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 5.3-29.3

Cross References

Resources Reference
ChEBI 6759
ChEMBL CHEMBL1087
DrugBank DB00961
DrugCentral 1700
FDA SRS B6E06QE59J
Human Metabolome Database HMDB0015096
Guide to Pharmacology 7224
KEGG C07528
PharmGKB PA164748741
SureChEMBL SCHEMBL25314