UCL1848   Click here for help

GtoPdb Ligand ID: 2321

Synonyms: UCL-1848
Compound class: Synthetic organic
Comment: There is some ambiguity surrounding the exact stereochemistry of UCL1848. We have chosen to display the structure without specified stereochemistry, whilst ChEMBL show represent the structure with the entry CHEMBL1185552.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 31.82
Molecular weight 426.28
XLogP 8.21
No. Lipinski's rules broken 1
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Canonical SMILES C1CCNc2cc[n+](c3c2cccc3)CCCCC[n+]2ccc(NCC1)c1ccccc21
Isomeric SMILES C1CCNc2cc[n+](c3c2cccc3)CCCCC[n+]2ccc(NCC1)c1ccccc21
InChI InChI=1S/C28H32N4/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32/h3-6,11-16,21-22H,1-2,7-10,17-20H2/p+2
1. Fanger CM, Rauer H, Neben AL, Miller MJ, Rauer H, Wulff H, Rosa JC, Ganellin CR, Chandy KG, Cahalan MD. (2001)
Calcium-activated potassium channels sustain calcium signaling in T lymphocytes. Selective blockers and manipulated channel expression levels.
J Biol Chem, 276 (15): 12249-56. [PMID:11278890]
2. Hosseini R, Benton DC, Dunn PM, Jenkinson DH, Moss GW. (2001)
SK3 is an important component of K(+) channels mediating the afterhyperpolarization in cultured rat SCG neurones.
J Physiol (Lond.), 535 (Pt 2): 323-34. [PMID:11533126]
3. Monaghan AS, Benton DC, Bahia PK, Hosseini R, Shah YA, Haylett DG, Moss GW. (2004)
The SK3 subunit of small conductance Ca2+-activated K+ channels interacts with both SK1 and SK2 subunits in a heterologous expression system.
J Biol Chem, 279 (2): 1003-9. [PMID:14559917]
4. Shah M, Haylett DG. (2000)
The pharmacology of hSK1 Ca2+-activated K+ channels expressed in mammalian cell lines.
Br J Pharmacol, 129 (4): 627-30. [PMID:10683185]