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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL405
CHEMBL405
Compound Name AMPHETAMINE
ChEMBL Synonyms ADZENYS ER | AMPHETAMINE ASPARTATE | AMPHETAMINE SULFATE | BENZADRINE | AMPHETAMINE ADIPATE | AMFETAMINE | EVEKEO | AMFETAMINE SULFATE | AMPHETAMINE | AMPHETAMINE RESIN COMPLEX | DYANAVEL XR | ADZENYS XR-ODT
Max Phase 4 (Approved)
Trade Names ADZENYS ER | EVEKEO | ADZENYS XR-ODT | DYANAVEL XR | AMPHETAMINE SULFATE | BENZADRINE
Molecular Formula C9H13N

Additional synonyms for CHEMBL405 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL405

Molecule Features

CHEMBL405 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Dopamine transporter releasing agent Dopamine transporter KEGG KEGG PubMed PubMed PubMed PubMed
Norepinephrine transporter releasing agent Norepinephrine transporter KEGG KEGG

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Attention Deficit Disorder with HyperactivityD001289EFO:0003888attention deficit hyperactivity disorder4ClinicalTrials
ATC
ClinicalTrials
ClinicalTrials
DailyMed
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
ClinicalTrials
NarcolepsyD009290EFO:0000614narcolepsy with cataplexy4DailyMed
DailyMed

Clinical Data

ClinicalTrials.gov AMPHETAMINE
The Cochrane Collaboration AMPHETAMINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
135.2 135.1048 1.58 2 26.02 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.94 1.79 -.65 1 10 0.65

Structural Alerts

There are no structural alerts for CHEMBL405

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06B - PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
N06BA - Centrally acting sympathomimetics
N06BA01 - amfetamine

ChemSpider ChemSpider:KWTSXDURSIMDCE-UHFFFAOYSA-N
DailyMed amphetamine amphetamine aspartate amphetamine sulfate
Wikipedia Adderall Amphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL405



ACToR 300-62-9 51-64-9 17108-96-2
BindingDB 50005246
Brenda 39740 5131 23090
ChEBI 132233
DrugBank DB00182
DrugCentral 195
eMolecules 524658
EPA CompTox Dashboard DTXSID4022600
Guide to Pharmacology 4804
Human Metabolome Database HMDB0014328
IBM Patent System C9130FC881833281CD2737A3CC01DD24
KEGG Ligand C07514
Mcule MCULE-4193952437
Nikkaji J28.384C
PubChem 3007
PubChem: Thomson Pharma 15297279
SureChEMBL SCHEMBL8858

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KWTSXDURSIMDCE-UHFFFAOYSA-N spacer
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