[3H]granisetron   Click here for help

GtoPdb Ligand ID: 2292

Synonyms: [3H]-BRL-43694 | [3H]-granisetron
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.16
Molecular weight 312.2
XLogP 2.61
No. Lipinski's rules broken 0
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Canonical SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C
Isomeric SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C
InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT3A Hs Antagonist Antagonist 8.9 pKd - 1-2
pKd 8.9 (Kd 1.2x10-9 M) [1-2]
5-HT3AB Hs Antagonist Antagonist 8.8 pKd - 1
pKd 8.8 [1]