Ligand Id: 125
Ligand name tryptamine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 41.81
Molecular weight 160.1
XLogP 1.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
2-(1H-INDOL-3-YL)ETHANAMINE
Synonyms
2-(1H-indol-3-yl)ethanamine
Database Links
BindingDB Ligand 50024210
CAS Registry No. 343-94-2 (source: NCI), 61-54-1 (source: ChEBI)
ChEBI CHEBI:16765
ChEMBL Ligand 100442
DrugBank Ligand DB08653
Human Metabolome Database HMDB00303
PubChem CID 1150
RCSB PDB Ligand TSS
Search on ChemSpider APJYDQYYACXCRM-UHFFFAOYSA-N
Wikipedia Tryptamine
ZINC ZINC00120144
iPHACE NZACPTP0

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org