PF-05089771   Click here for help

GtoPdb Ligand ID: 10723

Synonyms: PF 05089771 | PF05089771
Compound class: Synthetic organic
Comment: PF-05089771 is an aryl sulfonamide Nav1.7 channel blocker that binds to the inactivated state of Nav1.7 channels with high affinity but binds only weakly to channels in the resting state.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 159.61
Molecular weight 498.97
XLogP 4.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(c(c1)c1cn[nH]c1N)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Isomeric SMILES Clc1ccc(c(c1)c1cn[nH]c1N)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
InChI Key ZYSCOUXLBXGGIM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
Synonyms Click here for help
PF 05089771 | PF05089771
Database Links Click here for help
CAS Registry No. 1235403-62-9
ChEMBL Ligand CHEMBL2325014
GtoPdb PubChem SID 405067316
PubChem CID 46840946
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