amphetamine   Click here for help

GtoPdb Ligand ID: 4804

Synonyms: (±)-amphetamine | Amphetamine Sulfate® | DL-amphetamine
Approved drug
amphetamine is an approved drug (FDA (no history prior to 1976))
Compound class: Synthetic organic
Comment: Amphetamine is a central nervous system stimulant and an appetite suppressant.
Amphetamine can activate carbonic anhydrases, and is most potent at the CA5A and CA7 isoforms (KA values 810 and 910 nM respectively) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 26.02
Molecular weight 135.1
XLogP 1.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Cc1ccccc1)N
Isomeric SMILES CC(Cc1ccccc1)N
InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChI Key KWTSXDURSIMDCE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (no history prior to 1976))
IUPAC Name Click here for help
1-phenylpropan-2-amine
International Nonproprietary Names Click here for help
INN number INN
377 amfetamine
Synonyms Click here for help
(±)-amphetamine | Amphetamine Sulfate® | DL-amphetamine
Database Links Click here for help
CAS Registry No. 300-62-9 (source: Scifinder)
ChEMBL Ligand CHEMBL405
DrugBank Ligand DB00182
DrugCentral Ligand 195
GtoPdb PubChem SID 178101506
PubChem CID 3007
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Wikipedia Amphetamine