4-DAMP   Click here for help

GtoPdb Ligand ID: 307

Synonyms: 4-diphenylacetoxy-1,1-dimethylpiperidinium
Compound class: Synthetic organic
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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 26.3
Molecular weight 324.2
XLogP 3.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C
Isomeric SMILES O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C
InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
InChI Key HYJRTXSYDAFGJK-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
M1 receptor Hs Antagonist Antagonist 9.3 pKi - 1
pKi 9.3 [1]
M3 receptor Hs Antagonist Antagonist 9.3 pKi - 1
pKi 9.3 [1]
M3 receptor Rn Antagonist Antagonist 9.2 pKi - 2
pKi 9.2 [2]
M4 receptor Rn Antagonist Antagonist 9.1 pKi - 2
pKi 9.1 [2]
M5 receptor Hs Antagonist Antagonist 9.0 pKi - 1
pKi 9.0 [1]
M1 receptor Rn Antagonist Antagonist 8.9 pKi - 2
pKi 8.9 [2]
M4 receptor Hs Antagonist Antagonist 8.9 pKi - 1
pKi 8.9 [1]
M5 receptor Rn Antagonist Antagonist 8.9 pKi - 2
pKi 8.9 [2]
M2 receptor Hs Antagonist Antagonist 8.4 pKi - 1
pKi 8.4 [1]
M2 receptor Rn Antagonist Antagonist 8.2 pKi - 2-3
pKi 8.2 [2-3]
Ligand mentioned in the following text fields