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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL12420
CHEMBL12420
Compound Name N,N-DIMETHYLTRYPTAMINE
ChEMBL Synonyms N,N-Dimethyltryptamine
Max Phase 0
Trade Names
Molecular Formula C12H16N2

Additional synonyms for CHEMBL12420 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCc1c[nH]c2ccccc12
Standard InChI InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3 ...
Download InChI
Standard InChI Key DMULVCHRPCFFGV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL12420

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
188.3 188.1313 2.52 3 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
- 9.74 2.57 .49 2 14 0.78

Structural Alerts

There are no structural alerts for CHEMBL12420

Compound Cross References

ChemSpider ChemSpider:DMULVCHRPCFFGV-UHFFFAOYSA-N
Wikipedia Dimethyltryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL12420



ACToR 61-50-7
BindingDB 50026868
Brenda 12812 97747
ChEBI 28969
DrugBank DB01488
eMolecules 976832
EPA CompTox Dashboard DTXSID60110053
FDA SRS WUB601BHAA
Guide to Pharmacology 141
Human Metabolome Database HMDB0005973
IBM Patent System 46718A557476A15388BB529029852D50
KEGG Ligand C08302
Metabolights MTBLC28969
Nikkaji J10.685B
NMRShiftDB 10017644
PubChem 6089
PubChem: Thomson Pharma 15265804
SureChEMBL SCHEMBL335710
ZINC ZINC000000897457

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