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> Main
CHEBI:90538 - ICPD-47
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ChEBI Ontology
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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
Types
Sources
22984537
PubMed citation
Europe PMC
23292439
PubMed citation
Europe PMC
Last Modified
08 July 2016