senicapoc   Click here for help

GtoPdb Ligand ID: 2331

Synonyms: ICA-17043 | ICA17043
Compound class: Synthetic organic
Comment: Senicapoc has activity as a KCa3.1 channel inhibitor. [18]F-labelled senicapoc derivatives have been used as positron emission tomography tracers to visualise KCa3.1 channels in vivo [1,4]. A BODIPY-conjugated (fluorescent) senicapoc probe that occupies space in the channel pore is also reported [6].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 43.09
Molecular weight 323.11
XLogP 4.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)C(=O)N
Isomeric SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)C(=O)N
InChI InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
InChI Key SCTZUZTYRMOMKT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,2-bis(4-fluorophenyl)-2-phenylacetamide
International Nonproprietary Names Click here for help
INN number INN
8757 senicapoc
Synonyms Click here for help
ICA-17043 | ICA17043
Database Links Click here for help
CAS Registry No. 289656-45-7 (source: Scifinder)
ChEMBL Ligand CHEMBL405821
GtoPdb PubChem SID 135650366
PubChem CID 216327
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Wikipedia Senicapoc