Structure

InChI Key GJJFMKBJSRMPLA-DZGCQCFKSA-N
Smiles CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN
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/t13-,15+/m0/s1

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

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 40-320 - - -
Rattus norvegicus
- - - 8.5-8.5 -
Xenopus laevis
- - - - 53

Related Entries

Cross References

Resources Reference
ChEBI 136040
ChEMBL CHEMBL99946
DrugBank DB08918
DrugCentral 4864
FDA SRS UGM0326TXX
Guide to Pharmacology 7435
PubChem 6917779
SureChEMBL SCHEMBL1414867
ZINC ZINC000000000506