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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6391
CHEMBL6391
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15NO2

Additional synonyms for CHEMBL6391 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)Cc1ccc2OCOc2c1C
Standard InChI InChI=1S/C11H15NO2/c1-7(12)5-9-3-4-10-11(8(9)2)14-6-13-10/h3 ...
Download InChI
Standard InChI Key WVACHJAKQMSYSU-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL6391

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 1.89 2 44.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.84 2.03 -.33 1 14 0.78

Structural Alerts

There are no structural alerts for CHEMBL6391

Compound Cross References

ChemSpider ChemSpider:WVACHJAKQMSYSU-UHFFFAOYSA-N
Wikipedia 2-Methyl-MDA

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6391



BindingDB 50063547
EPA CompTox Dashboard DTXSID10435622
Nikkaji J949.861C
PubChem 10104064
PubChem: Thomson Pharma 15091978
SureChEMBL SCHEMBL1067408

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