Ligand Id: 1204
Ligand name 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
Synonyms
2-(3H-imidazol-4-yl)ethanamine
Database Links
CAS Registry No. 51-45-6 (source: ChEBI), 56-92-8 (source: NCI)
ChEBI CHEBI:18295
ChEMBL Ligand 122453, 122413, 108910, 121576, 121577, 121580, 122095, 122174, 122213, 122347, 122409, 122352, 649520, 643623
Human Metabolome Database HMDB00870
PubChem CID 774
RCSB PDB Ligand HSM
Search on ChemSpider NTYJJOPFIAHURM-UHFFFAOYSA-N
Wikipedia Histamine
ZINC ZINC18217584
iPHACE AJQN9ZR1

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