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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30713
CHEMBL30713
Compound Name
ChEMBL Synonyms alpha-Methyltryptamine
Max Phase 0
Trade Names
Molecular Formula C11H14N2

Additional synonyms for CHEMBL30713 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)Cc1c[nH]c2ccccc12
Standard InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7 ...
Download InChI
Standard InChI Key QSQQQURBVYWZKJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL30713

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
174.2 174.1157 1.93 2 41.81 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.8 1.9 -1.06 2 13 0.72

Structural Alerts

There are no structural alerts for CHEMBL30713

Compound Cross References

ChemSpider ChemSpider:QSQQQURBVYWZKJ-UHFFFAOYSA-N
Wikipedia Alpha-Methyltryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30713



ACToR 304-54-1
BindingDB 50014210
Brenda 110611
ChEBI 59020
DrugBank DB01446
eMolecules 711553
IBM Patent System 29AF68644BF93547B1BA5546BF50DBB5
Mcule MCULE-6417482430
Nikkaji J53.643A
PubChem 9287
PubChem: Thomson Pharma 15066762
SureChEMBL SCHEMBL274268

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