ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8165
CHEMBL8165
Compound Name 5-METHOXYTRYPTAMINE
ChEMBL Synonyms O-Methylserotonin Hydrochloride
Max Phase 0
Trade Names
Molecular Formula C11H14N2O

Additional synonyms for CHEMBL8165 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2[nH]cc(CCN)c2c1
Standard InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2 ...
Download InChI
Standard InChI Key JTEJPPKMYBDEMY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL8165

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
190.2 190.1106 1.53 3 51.04 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.47 1.32 -.85 2 14 0.77

Structural Alerts

There are no structural alerts for CHEMBL8165

Compound Cross References

ChemSpider ChemSpider:JTEJPPKMYBDEMY-UHFFFAOYSA-N
PubChem SID: 11111484 SID: 124880769 SID: 124880770 SID: 14719328 SID: 90341792
Wikipedia 5-Methoxytryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8165



ACToR 608-07-1
BindingDB 82087
Brenda 91940 14104 8025 25168
ChEBI 2089
eMolecules 494805
EPA CompTox Dashboard DTXSID60209638
FDA SRS 3VMW6141KC
Guide to Pharmacology 107
Human Metabolome Database HMDB0004095
IBM Patent System F0DFC16425685607DB6E6BE8FC56A742
KEGG Ligand C05659
LINCS LSM-4582
Mcule MCULE-6141263456
Metabolights MTBLC2089
MolPort MolPort-000-004-525
NIH Clinical Collection SAM001246909
Nikkaji J7.009B
PubChem 1833
PubChem: Thomson Pharma 15171512
SureChEMBL SCHEMBL41982
ZINC ZINC000000057163

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