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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:ICI-164384
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Accession:CHEBI:40710 term browser browse the term
Definition:A 3-hydroxy steroid that is 17beta-estradiol substituted by a 11-[butyl(methyl)amino]-11-oxoundecyl group at position 7R. It is a steroidal antioestrogen that inhibits the cell proliferation of breast-carcinoma cell lines.
Synonyms:exact_synonym: N-butyl-11-[3,17beta-dihydroxyestra-1(10),2,4-trien-7alpha-yl]-N-methylundecanamide
 related_synonym: Formula=C34H55NO3;   ICI 164,384;   ICI M164384;   ICI164384;   InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1;   InChIKey=BVVFOLSZMQVDKV-KXQIQQEYSA-N;   N-butyl-11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-N-methyl-undecanamide;   N-butyl-11-[(7alpha,9beta,13alpha,14beta,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide;   N-n-butyl-N-methyl-11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl]undecanamide;   SMILES=[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCCC(=O)N(C)CCCC)[C@@]21[H]
 alt_id: CHEBI:34796
 xref: CAS:98007-99-9;   Chemspider:94580;   DrugBank:DB03860;   KEGG:C14758
 xref_mesh: MESH:C051781
 xref: PDBeChem:AOE;   PMID:10405313;   PMID:11174852;   PMID:11250199;   PMID:11597408;   PMID:11922402;   PMID:14713268;   PMID:15001543;   PMID:1570330;   PMID:1648945;   PMID:16781141;   PMID:1883484;   PMID:18848890;   PMID:1892545;   PMID:1915080;   PMID:1957558;   PMID:20306127;   PMID:2033587;   PMID:2325408;   PMID:2328482;   PMID:2391957;   PMID:2395882;   PMID:2582435;   PMID:2605344;   PMID:2761257;   PMID:2924721;   PMID:3199810;   PMID:3386250;   PMID:3559447;   PMID:7625718;   PMID:7625736;   PMID:7647331;   PMID:7779759;   PMID:8080688;   PMID:8117317;   PMID:8126059;   PMID:8219250;   PMID:8255787;   PMID:8314314;   PMID:8352561;   PMID:8669823;   PMID:8788034;   PMID:8836170;   PMID:9009159;   PMID:9879979;   Wikipedia:ICI-164384



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ICI-164384 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Egf epidermal growth factor multiple interactions ISO ICI 164384 inhibits the reaction [EGF protein promotes the reaction [Estradiol results in increased expression of OLFM4 mRNA]] CTD PMID:21048224 NCBI chr 2:218,219,408...218,302,370
Ensembl chr 2:218,219,415...218,302,064
JBrowse link
G Egfr epidermal growth factor receptor multiple interactions ISO ICI 164384 inhibits the reaction [[Estradiol co-treated with EGFR protein] results in increased expression of SIAH2 mRNA] CTD PMID:18629630 NCBI chr14:91,176,931...91,349,722
Ensembl chr14:91,177,067...91,344,382
JBrowse link
G Esr1 estrogen receptor 1 affects binding
multiple interactions
ISO ICI 164384 binds to ESR1 protein
[ICI 164384 binds to and results in increased activity of ESR1 protein] which results in increased expression of HSPB1 mRNA; ICI 164384 binds to and results in increased activity of ESR1 protein
CTD PMID:11162928 PMID:11174852 PMID:19913605 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
JBrowse link
G Esr2 estrogen receptor 2 affects binding EXP ICI 164384 binds to ESR2 protein CTD PMID:19913605 NCBI chr 6:94,858,438...94,909,630
Ensembl chr 6:94,809,547...94,908,919
JBrowse link
G Hspb1 heat shock protein family B (small) member 1 multiple interactions ISO [ICI 164384 binds to and results in increased activity of ESR1 protein] which results in increased expression of HSPB1 mRNA CTD PMID:11174852 NCBI chr12:20,794,014...20,795,675
Ensembl chr12:20,794,028...20,795,743
JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions ISO ICI 164384 inhibits the reaction [Methylmercury Compounds results in increased activity of MAPK1 protein] CTD PMID:15712295 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616
JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions ISO ICI 164384 inhibits the reaction [Methylmercury Compounds results in increased activity of MAPK3 protein] CTD PMID:15712295 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
JBrowse link
G Olfm4 olfactomedin 4 multiple interactions ISO ICI 164384 inhibits the reaction [EGF protein promotes the reaction [Estradiol results in increased expression of OLFM4 mRNA]] CTD PMID:21048224 NCBI chr15:55,385,100...55,429,687
Ensembl chr15:55,407,148...55,429,681
JBrowse link
G Pgr progesterone receptor multiple interactions ISO ICI 164384 inhibits the reaction [beta-hexachlorocyclohexane results in increased expression of PGR mRNA]; ICI 164384 inhibits the reaction [Cadmium results in increased expression of PGR protein]; ICI 164384 inhibits the reaction [Endosulfan results in increased expression of PGR mRNA]; ICI 164384 inhibits the reaction [Estradiol results in increased expression of PGR mRNA]; ICI 164384 inhibits the reaction [Heptachlor Epoxide results in increased expression of PGR mRNA] CTD PMID:8207012 PMID:16242299 NCBI chr 8:6,073,216...6,131,552
Ensembl chr 8:6,072,673...6,131,344
JBrowse link
G Prl prolactin multiple interactions ISO ICI 164384 inhibits the reaction [beta-hexachlorocyclohexane results in increased expression of PRL mRNA]; ICI 164384 inhibits the reaction [Estradiol results in increased expression of PRL mRNA]; ICI 164384 inhibits the reaction [o,p'-DDT results in increased expression of PRL mRNA] CTD PMID:8968093 NCBI chr17:37,859,999...37,870,062
Ensembl chr17:37,860,007...37,870,062
JBrowse link
G Siah2 siah E3 ubiquitin protein ligase 2 multiple interactions
decreases expression
affects response to substance
ISO ICI 164384 inhibits the reaction [[Estradiol co-treated with EGFR protein] results in increased expression of SIAH2 mRNA]
ICI 164384 results in decreased expression of SIAH2 mRNA
SIAH2 protein affects the susceptibility to ICI 164384
CTD PMID:18629630 NCBI chr 2:142,913,924...142,931,752
Ensembl chr 2:142,914,003...142,931,950
JBrowse link
G Tff1 trefoil factor 1 multiple interactions ISO ICI 164384 inhibits the reaction [beta-hexachlorocyclohexane results in increased expression of TFF1 mRNA]; ICI 164384 inhibits the reaction [Endosulfan results in increased expression of TFF1 mRNA]; ICI 164384 inhibits the reaction [Estradiol results in increased expression of TFF1 mRNA]; ICI 164384 inhibits the reaction [Heptachlor Epoxide results in increased expression of TFF1 mRNA]; ICI 164384 inhibits the reaction [o,p'-DDT results in increased expression of TFF1 mRNA]; ICI 164384 inhibits the reaction [phenothrin results in increased expression of TFF1 mRNA] CTD PMID:8968093 PMID:10064545 PMID:16242299 NCBI chr20:9,235,736...9,239,597
Ensembl chr20:9,235,736...9,239,597
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19757
    role 19730
      application 19563
        pharmaceutical 19440
          drug 19440
            antineoplastic agent 17630
              ICI-164384 12
Path 2
Term Annotations click to browse term
  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
                    p-block element atom 19703
                      carbon group element atom 19649
                        carbon atom 19645
                          organic molecular entity 19645
                            organic group 18859
                              organic divalent group 18845
                                organodiyl group 18845
                                  carbonyl group 18809
                                    carbonyl compound 18809
                                      carboxylic acid 18530
                                        carboacyl group 17659
                                          univalent carboacyl group 17659
                                            carbamoyl group 17499
                                              carboxamide 17499
                                                tertiary carboxamide 817
                                                  ICI-164384 12
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