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
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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
1. Dörje F, Wess J, Lambrecht G, Tacke R, Mutschler E, Brann MR. (1991)
Antagonist binding profiles of five cloned human muscarinic receptor subtypes.
J Pharmacol Exp Ther, 256 (2): 727-33. [PMID:1994002]
2. Kashihara K, Varga EV, Waite SL, Roeske WR, Yamamura HI. (1992)
Cloning of the rat M3, M4 and M5 muscarinic acetylcholine receptor genes by the polymerase chain reaction (PCR) and the pharmacological characterization of the expressed genes.
Life Sci, 51 (12): 955-71. [PMID:1325587]
3. Kovacs I, Yamamura HI, Waite SL, Varga EV, Roeske WR. (1998)
Pharmacological comparison of the cloned human and rat M2 muscarinic receptor genes expressed in the murine fibroblast (B82) cell line.
J Pharmacol Exp Ther, 284 (2): 500-7. [PMID:9454790]