(S)-dimetindene   Click here for help

GtoPdb Ligand ID: 10104

Synonyms: (+)-dimethindene | (+)-dimetindene | (S)-dimethindene
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: This is the (S)-enantiomer of the antihistamine drug dimetindene.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 16.13
Molecular weight 292.19
XLogP 2.86
No. Lipinski's rules broken 0
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Canonical SMILES CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C
Isomeric SMILES CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C
InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
M2 receptor Hs Antagonist Antagonist 7.5 pKi - 1
pKi 7.5 (Ki 3.02x10-8 M) [1]
Description: Binding to hM2 receptors expressed in CHO cells.
H1 receptor Hs Antagonist Antagonist 7.2 pKi - 1
pKi 7.2 (Ki 6.9x10-8 M) [1]
M3 receptor Hs Antagonist Antagonist 6.9 pKi - 1
pKi 6.9 (Ki 1.38x10-7 M) [1]
Description: Binding to hM3 receptors expressed in CHO cells.
M1 receptor Hs Antagonist Antagonist 6.7 pKi - 1
pKi 6.7 (Ki 1.906x10-7 M) [1]
Description: Binding to hM1 receptors expressed in CHO cells.
M4 receptor Hs Antagonist Antagonist 6.5 pKi - 1
pKi 6.5 (Ki 2.951x10-7 M) [1]
Description: Binding to hM4 receptors expressed in CHO cells.
M5 receptor Hs Antagonist Antagonist 6.1 pKi - 1
pKi 6.1 (Ki 7.586x10-7 M) [1]
Description: Binding to hM5 receptors expressed in CHO cells.