N-[3H]methylhistamine   

GtoPdb Ligand ID: 1241

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 43.84
Molecular weight 125.1
XLogP -0.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cn1cc(nc1)CCN
Isomeric SMILES Cn1cc(nc1)CCN
InChI InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
InChI Key FHQDWPCFSJMNCT-UHFFFAOYSA-N
References
1. Liu C, Ma X, Jiang X, Wilson SJ, Hofstra CL, Blevitt J, Pyati J, Li X, Chai W, Carruthers N et al.. (2001)
Cloning and pharmacological characterization of a fourth histamine receptor (H(4)) expressed in bone marrow.
Mol. Pharmacol., 59 (3): 420-6. [PMID:11179434]
2. Lovenberg TW, Pyati J, Chang H, Wilson SJ, Erlander MG. (2000)
Cloning of rat histamine H(3) receptor reveals distinct species pharmacological profiles.
J. Pharmacol. Exp. Ther., 293 (3): 771-8. [PMID:10869375]