EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176898 - piCRAC-1

ChEBI IDCHEBI:176898
ChEBI NamepiCRAC-1
Stars
DefinitionA monoazo compound that is a photoisomerizable analogue of GSK-5498A. It is a Ca2+ release-activated Ca2+ (CRAC) channel inhibitor which exists in the trans-configuration in the dark (415nm) and in the cis-configuration under 365 nm illumination.
Last Modified30 July 2021
SubmitterCeri
DownloadsMolfile
FormulaC17H10F6N4
Net Charge0
Average Mass384.283
Monoisotopic Mass384.08097
SMILESFc1cccc(C(F)(F)F)c1Cn1ccc(N=Nc2c(F)cccc2F)n1
InChIInChI=1S/C17H10F6N4/c18-12-4-1-3-11(17(21,22)23)10(12)9-27-8-7-15(26-27)24-25-16-13(19)5-2-6-14(16)20/h1-8H,9H2
InChIKeyTXWNZTPRPAPHSE-UHFFFAOYSA-N
Roles Classification
Biological Role:
calcium channel blocker  One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
ChEBI Ontology
Outgoing Relation(s)
piCRAC-1 (CHEBI:176898) has role calcium channel blocker (CHEBI:38215)
piCRAC-1 (CHEBI:176898) is a (trifluoromethyl)benzenes (CHEBI:83565)
piCRAC-1 (CHEBI:176898) is a difluorobenzene (CHEBI:38582)
piCRAC-1 (CHEBI:176898) is a monoazo compound (CHEBI:48959)
piCRAC-1 (CHEBI:176898) is a pyrazoles (CHEBI:26410)
Incoming Relation(s)
cis-piCRAC-1 (CHEBI:176909) is a piCRAC-1 (CHEBI:176898)
trans-piCRAC-1 (CHEBI:176908) is a piCRAC-1 (CHEBI:176898)
IUPAC Name 
3-[(2,6-difluorophenyl)diazenyl]-1-[2-fluoro-6-(trifluoromethyl)benzyl]-1H-pyrazole
Synonym  Source
3-[(2,6-difluorophenyl)diazenyl]-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1H-pyrazoleIUPAC
Citations