XE991   Click here for help

GtoPdb Ligand ID: 2596

Synonyms: LS-190926
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 42.85
Molecular weight 376.16
XLogP 5.25
No. Lipinski's rules broken 1
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Canonical SMILES O=C1c2ccccc2C(c2c1cccc2)(Cc1ccncc1)Cc1ccncc1
Isomeric SMILES O=C1c2ccccc2C(c2c1cccc2)(Cc1ccncc1)Cc1ccncc1
InChI InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2
1. Schroeder BC, Hechenberger M, Weinreich F, Kubisch C, Jentsch TJ. (2000)
KCNQ5, a novel potassium channel broadly expressed in brain, mediates M-type currents.
J Biol Chem, 275 (31): 24089-95. [PMID:10816588]
2. Søgaard R, Ljungstrøm T, Pedersen KA, Olesen SP, Jensen BS. (2001)
KCNQ4 channels expressed in mammalian cells: functional characteristics and pharmacology.
Am J Physiol, Cell Physiol, 280 (4): C859-66. [PMID:11245603]
3. Wang HS, Brown BS, McKinnon D, Cohen IS. (2000)
Molecular basis for differential sensitivity of KCNQ and I(Ks) channels to the cognitive enhancer XE991.
Mol Pharmacol, 57 (6): 1218-23. [PMID:10825393]
4. Wang HS, Pan Z, Shi W, Brown BS, Wymore RS, Cohen IS, Dixon JE, McKinnon D. (1998)
KCNQ2 and KCNQ3 potassium channel subunits: molecular correlates of the M-channel.
Science, 282 (5395): 1890-3. [PMID:9836639]