Structure

InChI Key KWTSXDURSIMDCE-UHFFFAOYSA-N
Smiles CC(N)Cc1ccccc1
InChI
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N
Molecular Weight 135.21
AlogP 1.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Mechanism of Action Action Reference
Dopamine transporter releasing agent RELEASING AGENT KEGG PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 0
Rattus norvegicus
- 200-960 - - -

Target Conservation

Protein: Norepinephrine transporter

Description: Sodium-dependent noradrenaline transporter

Organism : Homo sapiens

P23975 ENSG00000103546
Protein: Dopamine transporter

Description: Sodium-dependent dopamine transporter

Organism : Homo sapiens

Q01959 ENSG00000142319

Environmental Exposure

Countries
Croatia

Cross References

Resources Reference
ChEBI 132233
ChEMBL CHEMBL405
DrugBank DB00182
DrugCentral 195
FDA SRS CK833KGX7E
Human Metabolome Database HMDB0014328
Guide to Pharmacology 4804
KEGG C07514
PubChem 3007
SureChEMBL SCHEMBL8858