Structure

InChI Key ZSCDBOWYZJWBIY-UHFFFAOYSA-N
Smile CC(CN(C)C)CN1c2ccccc2CCc2ccccc21
InChI
InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N2
Molecular Weight 294.44
AlogP 4.12
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Primary Target
DAT
NET
SERT

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 739-71-9
ChEBI 9738
ChEMBL CHEMBL644
DrugBank DB00726
DrugCentral 2758
EPA CompTox DTXSID8023715
FDA SRS 6S082C9NDT
Human Metabolome Database HMDB0014864
Guide to Pharmacology 7317
PharmGKB PA451791
PubChem 5584
SureChEMBL SCHEMBL35144