ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278663
CHEMBL278663
Compound Name PARA-METHOXYAMPHETAMINE
ChEMBL Synonyms beta-methoxyamphetamine | para-Methoxyamphetamine
Max Phase 0
Trade Names
Molecular Formula C10H15NO

Additional synonyms for CHEMBL278663 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CC(C)N)cc1
Standard InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11 ...
Download InChI
Standard InChI Key NEGYEDYHPHMHGK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278663

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
165.2 165.1154 1.62 3 35.25 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10 1.68 -.81 1 12 0.74

Structural Alerts

There are no structural alerts for CHEMBL278663

Compound Cross References

ChemSpider ChemSpider:NEGYEDYHPHMHGK-UHFFFAOYSA-N
PubChem SID: 91153
Wikipedia Para-Methoxyamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278663



ACToR 23239-32-9 64-13-1
BindingDB 50024209
Brenda 39741 38543
DrugBank DB01472
eMolecules 977554
EPA CompTox Dashboard DTXSID7040578
IBM Patent System 7B90201A4BF24A8DE300FD461221ADD5
Mcule MCULE-9604730500
Nikkaji J213.549C
PubChem 31721
PubChem: Thomson Pharma 15194941
SureChEMBL SCHEMBL264634

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