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: 1-(4-\{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy\}phenyl)-4-isopropylpiperazine
Accession: CHEBI:82979
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Definition: A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by 2,4-dichlorophenyl, 1H-1,2,4-triazol-1-ylmethyl, and [4-(4-isopropylpiperazin-1-yl)phenoxy]methyl groups, respectively.
Synonyms: related_synonym: Formula=C26H31Cl2N5O3; InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3; InChIKey=BLSQLHNBWJLIBQ-UHFFFAOYSA-N; SMILES=CC(C)N1CCN(CC1)c1ccc(OCC2COC(Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1
G
F3
coagulation factor III, tissue factor
increases expression
ISO
terconazole results in increased expression of F3 protein
CTD
PMID:25569083
NCBI chr 2:209,827,061...209,838,666
Ensembl chr 2:209,826,959...209,838,668
G
Kcnh2
potassium voltage-gated channel subfamily H member 2
decreases activity
ISO
terconazole results in decreased activity of KCNH2 protein
CTD
PMID:28551711
NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008
G
Slc22a2
solute carrier family 22 member 2
multiple interactions
ISO
terconazole inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium]
CTD
PMID:21599003
NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19757
role
19730
application
19563
refrigerant
18121
ammonia
17617
organic amino compound
17617
tertiary amino compound
9929
N-alkylpiperazine
3363
1-(4-\{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy\}phenyl)-4-isopropylpiperazine
3
(2R,4S)-terconazole +
3
(2S,4R)-terconazole +
3
Path 2
CHEBI ontology
19757
subatomic particle
19755
composite particle
19755
hadron
19755
baryon
19755
nucleon
19755
atomic nucleus
19755
atom
19755
main group element atom
19703
main group molecular entity
19703
s-block molecular entity
19557
hydrogen molecular entity
19550
hydrides
19031
inorganic hydride
17955
pnictogen hydride
17940
nitrogen hydride
17836
azane
17618
ammonia
17617
organic amino compound
17617
tertiary amino compound
9929
N-alkylpiperazine
3363
1-(4-\{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy\}phenyl)-4-isopropylpiperazine
3
(2R,4S)-terconazole +
3
(2S,4R)-terconazole +
3