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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11608
CHEMBL11608
Compound Name TYRAMINE
ChEMBL Synonyms 4-Hydroxyphenethylamine Hydrochloride | Tyramine
Max Phase 0
Trade Names
Molecular Formula C8H11NO

Additional synonyms for CHEMBL11608 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1ccc(O)cc1
Standard InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
Standard InChI Key DZGWFCGJZKJUFP-UHFFFAOYSA-N

Sources

  • Curated Drug Metabolism Pathways
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL11608

Metabolites for CHEMBL11608

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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
137.2 137.0841 1.02 2 46.25 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.51 10.49 .78 -1.76 1 10 0.64

Structural Alerts

There are no structural alerts for CHEMBL11608

Compound Cross References

ChemSpider ChemSpider:DZGWFCGJZKJUFP-UHFFFAOYSA-N
PubChem SID: 104171251 SID: 11111872 SID: 144203833 SID: 170466815 SID: 858070 SID: 90341354
Wikipedia Tyramine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11608



ACToR 51-67-2
BindingDB 29135
Brenda 7267 280 22261 142674 48679
ChEBI 15760
DrugBank DB08841
DrugCentral 2784
eMolecules 533064
EPA CompTox Dashboard DTXSID2043874
FDA SRS X8ZC7V0OX3
Guide to Pharmacology 2150 2148
Human Metabolome Database HMDB0000306
IBM Patent System 7D678FD1386A2B0C67537128E76246A9
KEGG Ligand C00483
LINCS LSM-19016
Mcule MCULE-3986856320
Metabolights MTBLC15760
MolPort MolPort-000-698-914
Nikkaji J4.123H
NMRShiftDB 20032299
PDBe AEF
PubChem 5610
PubChem: Thomson Pharma 15321440
SureChEMBL SCHEMBL4111
ZINC ZINC000000002233

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