ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL142936
CHEMBL142936
Compound Name DIETHYLTRYPTAMINE
ChEMBL Synonyms N,N-Diethyltryptamine
Max Phase 0
Trade Names
Molecular Formula C14H20N2

Additional synonyms for CHEMBL142936 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCc1c[nH]c2ccccc12
Standard InChI InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12 ...
Download InChI
Standard InChI Key LSSUMOWDTKZHHT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL142936

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
216.3 216.1626 3.22 5 19.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.54 3.59 .77 2 16 0.81

Structural Alerts

There are no structural alerts for CHEMBL142936

Compound Cross References

ChemSpider ChemSpider:LSSUMOWDTKZHHT-UHFFFAOYSA-N
PubChem SID: 124954093
Wikipedia Diethyltryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL142936



BindingDB 50094676
DrugBank DB01460
eMolecules 976820
EPA CompTox Dashboard DTXSID9052763
FDA SRS 916E8V4S2V
IBM Patent System 90F18E411357576BAE1A05E189A2F963
Nikkaji J40.083A
PubChem 6090
PubChem: Thomson Pharma 15488481
SureChEMBL SCHEMBL517713
ZINC ZINC000001999162

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