Synonyms
Status
Molecule Category Free-form
ATC N06AX17
UNII G56VK1HF36

Structure

InChI Key GJJFMKBJSRMPLA-UHFFFAOYSA-N
Smiles CCN(CC)C(=O)C1(c2ccccc2)CC1CN
InChI
InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22N2O
Molecular Weight 246.35
AlogP 1.77
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.33
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 0.7943-420 - 6.5-85 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.7943-420 - 6.5-85 -
Rattus norvegicus
- 30-203 - 16-27

Related Entries

Cross References

Resources Reference
ChEBI 135005
ChEMBL CHEMBL259209
DrugBank DB04896
DrugCentral 1808
FDA SRS G56VK1HF36
Guide to Pharmacology 7436
SureChEMBL SCHEMBL114034