histamine

Ligand id: 1204

Name: histamine

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 54.7
Molecular weight 111.08
XLogP -0.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-(3H-imidazol-4-yl)ethanamine
Comments
Histamine is a potent pro-inflammatory mediator that is principally released from mast cells. It is also involved in regulating physiological function in the gut, and acts as a neurotransmitter.
Histamine activates carbonic anhydrases, and is most potent at the CA5A and CA1 isoforms (KA values 10 and 2100 nM respectively) [21].
Database Links
CAS Registry No. 51-45-6
ChEBI CHEBI:18295
ChEMBL Ligand CHEMBL90
GtoPdb PubChem SID 135651493
PubChem CID 774
RCSB PDB Ligand HSM
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Wikipedia Histamine