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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
Search Google for chemical match using the InChIKey SCTZUZTYRMOMKT-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey SCTZUZTYRMOMKT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SCTZUZTYRMOMKT-UHFFFAOYSA-N
Wikipedia Senicapoc