AMPHETAMINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII CK833KGX7E
EPA CompTox DTXSID4022600

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

Bioactivity

Mechanism of Action Action Reference
Dopamine transporter releasing agent RELEASING AGENT KEGG PubMed PubMed
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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2A Cytochrome P450 2A5
- 2850 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2A Cytochrome P450 2A6
- 3500 - - -
Ion channel Ligand-gated ion channel 5HT3 receptor
- - 5370-5370 - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - 5370-5370 43000-43000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1000 - - -
Assay Description Organism Bioactivity Reference
Antidepressant activity in ip dosed NMRI albino mouse assessed as inhibition of [3H]5-HT accumulation in hypothalamus after 0.5 hrs Mus musculus 0.0 %
Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation counting analysis Rattus norvegicus 200.0 nM
Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis Rattus norvegicus 960.0 nM

Environmental Exposure

Environmental Exposure Map
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
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