Ligand Id: 1247
Ligand name [3H]histamine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 54.7
Molecular weight 111.08
XLogP -0.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Metabolite or derivative
IUPAC Name
2-(3H-imidazol-4-yl)ethanamine
Database Links
BindingDB Ligand 22554
CAS Registry No. 51-45-6 (source: ChEBI), 56-92-8 (source: NCI)
ChEBI CHEBI:18295
ChEMBL Ligand 121580, 122095, 122174, 122213, 122347, 122352, 122409, 122413, 122453, 649520, 643623, 108910, 121576, 121577
Human Metabolome Database HMDB00870
PubChem CID 774
RCSB PDB Ligand HSM
Search on ChemSpider NTYJJOPFIAHURM-UHFFFAOYSA-N

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