CHEBI:90538 - ICPD-47

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ChEBI Name ICPD-47
ChEBI ID CHEBI:90538
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Matthias Ziehm
Supplier Information
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Formula C16H13ClN2O3S
Net Charge 0
Average Mass 348.806
Monoisotopic Mass 348.03354
InChI InChI=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
InChIKey RFRZSMIYYCXYNL-UHFFFAOYSA-N
SMILES C=1(C(=CC(C=2N=NSC2C3=CC=C(C=C3)OCC)=C(C1)O)Cl)O
Roles Classification
Biological Role(s): Hsp90 inhibitor
An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
ICPD 47 ChEBI
ICPD47 ChEBI
Manual Xref Database
BZ8 PDBeChem
View more database links
Registry Number Type Source
19357826 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22984537 PubMed citation Europe PMC
23292439 PubMed citation Europe PMC
Last Modified
08 July 2016