PF-01247324   Click here for help

GtoPdb Ligand ID: 8521

Compound class: Synthetic organic
Comment: PF-01247324 is a NaV 1.8 blocker that attenuates nociception and sensory neuron excitability [1]. This publication has an F1000 recommendation. There are six active analogues described in WO2006011050 but without quantitative data.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 68.01
Molecular weight 328.99
XLogP 3.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)c1ccc(c(n1)N)c1cc(Cl)cc(c1Cl)Cl
Isomeric SMILES CNC(=O)c1ccc(c(n1)N)c1cc(Cl)cc(c1Cl)Cl
InChI InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)
InChI Key HPIUHDCRVYDAEJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide
Database Links Click here for help
CAS Registry No. 875051-72-2 (source: PubChem)
GtoPdb PubChem SID 252166723
PubChem CID 11659955
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