CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
Accession: CHEBI:855
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Definition: A member of the class of triazoles that is 1-phenyl-1H-1,2,4-triazole substituted by 2-hydroxyphenyl groups at positions 3 and 5.
Synonyms: related_synonym: 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol; 3,5-bis(2-hydroxyphenyl)-1-phenyl-1H-1,2,4-triazole; Formula=C20H15N3O2; InChI=1S/C20H15N3O2/c24-17-12-6-4-10-15(17)19-21-20(16-11-5-7-13-18(16)25)23(22-19)14-8-2-1-3-9-14/h1-13,24-25H; InChIKey=ZSVXKCSZMLMPBW-UHFFFAOYSA-N; SMILES=Oc1ccccc1-c1nc(-c2ccccc2O)n(n1)-c1ccccc1; decarboxydeferasirox
xref: KEGG:C11569; Reaxys:4541552
G
Casp3
caspase 3
increases expression increases activity
ISO
deferasirox results in increased expression of CASP3 protein deferasirox results in increased activity of CASP3 protein
CTD
PMID:21439361
NCBI chr16:52,395,539...52,413,794
Ensembl chr16:52,395,540...52,413,732
G
Ccnt1
cyclin T1
multiple interactions
ISO
deferasirox inhibits the reaction [CDK9 protein binds to CCNT1 protein]
CTD
PMID:17631934
NCBI chr 7:131,566,176...131,596,988
Ensembl chr 7:131,566,176...131,596,938
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Cdk2
cyclin dependent kinase 2
decreases activity
ISO
deferasirox results in decreased activity of CDK2 protein
CTD
PMID:17631934
NCBI chr 7:1,714,392...1,721,964
Ensembl chr 7:1,714,392...1,721,878
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Cdk9
cyclin-dependent kinase 9
multiple interactions
ISO
deferasirox inhibits the reaction [CDK9 protein binds to CCNT1 protein]
CTD
PMID:17631934
NCBI chr 3:36,394,168...36,399,016
Ensembl chr 3:36,394,169...36,399,528
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Clu
clusterin
increases expression
EXP
deferasirox results in increased expression of CLU protein
CTD
PMID:21439361
NCBI chr15:44,336,619...44,375,861
Ensembl chr15:44,359,914...44,375,860
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Havcr1
hepatitis A virus cellular receptor 1
increases expression
ISO EXP
deferasirox results in increased expression of HAVCR1 protein
CTD
PMID:21439361
NCBI chr10:31,619,914...31,652,955
Ensembl chr10:31,619,897...31,653,268
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Lcn2
lipocalin 2
increases expression
ISO EXP
deferasirox results in increased expression of LCN2 protein
CTD
PMID:21439361
NCBI chr 3:36,078,432...36,081,851
Ensembl chr 3:36,078,436...36,081,842
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Polr2a
RNA polymerase II subunit A
decreases phosphorylation
ISO
deferasirox results in decreased phosphorylation of POLR2A protein
CTD
PMID:17631934
NCBI chr10:54,951,162...54,977,179
Ensembl chr10:54,951,162...54,977,179
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
20862
chemical entity
20860
molecular entity
20859
polyatomic entity
20803
heteroatomic molecular entity
20740
hydroxides
20230
organic hydroxy compound
19765
phenols
19435
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
8
deferasirox
8
Path 2
CHEBI ontology
20862
subatomic particle
20860
composite particle
20860
hadron
20860
baryon
20860
nucleon
20860
atomic nucleus
20860
atom
20860
main group element atom
20781
p-block element atom
20781
carbon group element atom
20715
carbon atom
20710
organic molecular entity
20710
organic molecule
20654
organic cyclic compound
20404
organic heterocyclic compound
19388
heteroarene
17448
monocyclic heteroarene
15186
azole
14620
triazoles
8516
1-phenyl-1H-1,2,4-triazole
15
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
8
deferasirox
8