EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90538 - ICPD-47

ChEBI IDCHEBI:90538
ChEBI NameICPD-47
Stars
DefinitionA member of the class of thiadiazoles that is 1,2,3-thiadiazole substituted at positions 4 and 5 by 2,4-dihydroxy-4-chlorophenyl and 4-methoxyphenyl groups respectively.
Last Modified8 July 2016
Submittermziehm
DownloadsMolfile
FormulaC16H13ClN2O3S
Net Charge0
Average Mass348.811
Monoisotopic Mass348.03354
SMILESCCOc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-2-22-10-5-3-9(4-6-10)16-15(18-19-23-16)11-7-12(17)14(21)8-13(11)20/h3-8,20-21H,2H2,1H3
InChIKeyRFRZSMIYYCXYNL-UHFFFAOYSA-N
Roles Classification
Biological Role:
Hsp90 inhibitor  An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
ChEBI Ontology
Outgoing Relation(s)
ICPD-47 (CHEBI:90538) has role Hsp90 inhibitor (CHEBI:63962)
ICPD-47 (CHEBI:90538) is a aromatic ether (CHEBI:35618)
ICPD-47 (CHEBI:90538) is a monochlorobenzenes (CHEBI:83403)
ICPD-47 (CHEBI:90538) is a resorcinols (CHEBI:33572)
ICPD-47 (CHEBI:90538) is a thiadiazoles (CHEBI:38099)
IUPAC Name 
4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
Synonyms  Source
ICPD47ChEBI
ICPD 47ChEBI
Manual XrefsDatabases
BZ8PDBeChem
Registry NumbersSources
Reaxys:19357826Reaxys
Citations