linopirdine   Click here for help

GtoPdb Ligand ID: 2599

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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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
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Kv7.5 Hs Inhibitor - 4.8 pKd - 1
pKd 4.8 (Kd 1.6x10-5 M) [1]
Kv7.3 Rn Inhibitor - 5.4 pIC50 - 4
pIC50 5.4 (IC50 4x10-6 M) [4]
Kv7.2 Hs Inhibitor - 5.3 pIC50 - 4
pIC50 5.3 (IC50 4.8x10-6 M) [4]
Kv7.4 Hs Inhibitor - 4.9 pIC50 - 3
pIC50 4.9 (IC50 1.4x10-5 M) [3]
Kv7.1 Mm Inhibitor - 4.4 pIC50 - 2
pIC50 4.4 (IC50 4.2x10-5 M) [2]