Structure

InChI Key KWTSXDURSIMDCE-QMMMGPOBSA-N
Smile C[C@H](N)Cc1ccccc1
InChI
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1

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

Action Mechanism of Action Reference
RELEASING AGENT Dopamine transporter releasing agent PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioma 3 D005910 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Multiple Sclerosis 2 D009103 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Amphetamine-Related Disorders 2 D019969 ClinicalTrials
Stroke 2 D020521 ClinicalTrials
Bipolar Disorder 1 D001714 ClinicalTrials

Related Entries

MCS

Salt

Cross References

Resources Reference
CAS NUMBER 51-64-9
ChEBI 4469
ChEMBL CHEMBL612
DrugBank DB01576
DrugCentral 841
EPA CompTox DTXSID8022907
FDA SRS TZ47U051FI
Human Metabolome Database HMDB0015516
Guide to Pharmacology 2147
KEGG C07884
PDB 1WE
PharmGKB PA448408
PubChem 5826
SureChEMBL SCHEMBL8859
ZINC ZINC000006021033