linopirdine   Click here for help

GtoPdb Ligand ID: 2599

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 46.09
Molecular weight 391.17
XLogP 3.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2
Isomeric SMILES O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2
InChI InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
InChI Key YEJCDKJIEMIWRQ-UHFFFAOYSA-N
References
1. Lerche C, Scherer CR, Seebohm G, Derst C, Wei AD, Busch AE, Steinmeyer K. (2000)
Molecular cloning and functional expression of KCNQ5, a potassium channel subunit that may contribute to neuronal M-current diversity.
J Biol Chem, 275 (29): 22395-400. [PMID:10787416]
2. Ohya S, Sergeant GP, Greenwood IA, Horowitz B. (2003)
Molecular variants of KCNQ channels expressed in murine portal vein myocytes: a role in delayed rectifier current.
Circ Res, 92 (9): 1016-23. [PMID:12690036]
3. 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]
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]