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: isofenphos
Accession: CHEBI:6009
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Definition: A salicylate that has formula C15H24NO4PS.
Synonyms: exact_synonym: propan-2-yl 2-({ethoxy[(propan-2-yl)amino]phosphorothioyl}oxy)benzoate
related_synonym: 1-methylethyl 2-({ethoxy[(1-methylethyl)amino]phosphorothioyl}oxy)benzoate; 1-methylethyl-2-((ethoxy((1-methylethyl)amino)phosphinothioyl)oxy) benzoate; 2-[[ethoxy[(1-methylethyl)amino]phosphinothioyl]oxy]benzoic acid 1-methylethyl ester; Formula=C15H24NO4PS; InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22); InChIKey=HOQADATXFBOEGG-UHFFFAOYSA-N; O-ethyl O-(2-isopropoxycarbonyl)phenyl isopropylphosphoramidothioate; Oftanol; SMILES=CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C; isophenphos; isopropyl 2-{[ethoxy(isopropylamino)phosphorothioyl]oxy}benzoate; isopropylsalicylate, O-ester with O-ethyl isopropylphosphoramidothioate
xref: Beilstein:2949615; CAS:25311-71-1; KEGG:C11002
xref_mesh: MESH:C035019
xref: PPDB:406
G
Ar
androgen receptor
multiple interactions
ISO
Dihydrotestosterone inhibits the reaction [isofenphos results in increased activity of AR protein]
CTD
PMID:15064155
NCBI chr X:63,104,771...63,273,934
Ensembl chr X:63,104,771...63,273,925
G
Cyp3a2
cytochrome P450, family 3, subfamily a, polypeptide 2
increases expression
ISO
isofenphos results in increased expression of CYP3A4 mRNA
CTD
PMID:17293382
NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
G
Esr1
estrogen receptor 1
increases activity
ISO
isofenphos results in increased activity of ESR1 protein
CTD
PMID:15064155
NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
G
Nr1i2
nuclear receptor subfamily 1, group I, member 2
multiple interactions
ISO
isofenphos binds to and results in increased activity of NR1I2 protein; isofenphos metabolite binds to and results in increased activity of NR1I2 protein
CTD
PMID:21115097
NCBI chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
G
Nr1i3
nuclear receptor subfamily 1, group I, member 3
increases activity
ISO
isofenphos results in increased activity of NR1I3 protein
CTD
PMID:28927721
NCBI chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906
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