Structure

InChI Key CBHCDHNUZWWAPP-UHFFFAOYSA-N
Smiles CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1
InChI
InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22N2S
Molecular Weight 310.47
AlogP 4.63
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 420-830 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- - - - 34
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 420-830 - - 34

Related Entries

Cross References

Resources Reference
ChEBI 135324
ChEMBL CHEMBL395110
DrugCentral 1688
FDA SRS PH34873A38
Guide to Pharmacology 9782
SureChEMBL SCHEMBL149976