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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43048
CHEMBL43048
Compound Name METHYLENEDIOXYMETHAMPHETAMINE
ChEMBL Synonyms 3,4-Methylenedioxymethamphetamine | Methylenedioxy Methamphetamine | Methylenedioxymethamphetamine
Max Phase 0
Trade Names
Molecular Formula C11H15NO2

Additional synonyms for CHEMBL43048 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(C)Cc1ccc2OCOc2c1
Standard InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3 ...
Download InChI
Standard InChI Key SHXWCVYOXRDMCX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL43048

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
193.2 193.1103 1.83 3 30.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.32 2.05 -.65 1 14 0.79

Structural Alerts

There are no structural alerts for CHEMBL43048

Compound Cross References

ChemSpider ChemSpider:SHXWCVYOXRDMCX-UHFFFAOYSA-N
Wikipedia MDMA

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43048



ACToR 42542-10-9 69610-10-2
BindingDB 50010588
Brenda 49754
ChEBI 1391
DrugBank DB01454
Guide to Pharmacology 4574
IBM Patent System ADFF9A8AEAC975C257F604D3DC23D6BB
KEGG Ligand C07577
Nikkaji J276.360E
PharmGKB PA131887008
PubChem 1615
PubChem: Thomson Pharma 14748568
SureChEMBL SCHEMBL44210

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