CHEBI:41656 - CCT-018159

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ChEBI Name CCT-018159
Definition A member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H20N2O4
Net Charge 0
Average Mass 352.38380
Monoisotopic Mass 352.14231
InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)
SMILES CCc1cc(-c2[nH]nc(C)c2-c2ccc3OCCOc3c2)c(O)cc1O
Roles Classification
Biological Role(s): Hsp90 inhibitor
An EC (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing CCT-018159 (CHEBI:41656) has role antineoplastic agent (CHEBI:35610)
CCT-018159 (CHEBI:41656) has role apoptosis inducer (CHEBI:68495)
CCT-018159 (CHEBI:41656) has role Hsp90 inhibitor (CHEBI:63962)
CCT-018159 (CHEBI:41656) is a benzodioxine (CHEBI:64096)
CCT-018159 (CHEBI:41656) is a pyrazoles (CHEBI:26410)
CCT-018159 (CHEBI:41656) is a resorcinols (CHEBI:33572)
Synonyms Sources
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyrazol-5-yl]-6-ethylbenzene-1,3-diol ChEBI
CCT 018159 ChEBI
CCT018159 ChEBI
Manual Xrefs Databases
CT5 PDBeChem
DB07594 DrugBank
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Registry Numbers Types Sources
171009-07-7 CAS Registry Number ChemIDplus
25310995 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15974572 PubMed citation Europe PMC
16818523 PubMed citation Europe PMC
17332351 PubMed citation Europe PMC
17431102 PubMed citation Europe PMC
21037799 PubMed citation Europe PMC
23379601 PubMed citation Europe PMC
Last Modified
14 July 2016