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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:molibresib
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Accession:CHEBI:95082 term browser browse the term
Definition:A member of the class of triazolobenzodiazepine that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine substituted by methyl, 2-(ethylamino)-2-oxoethyl, 4-chlorophenyl, and methoxy groups at positions 1, 4S, 6, and 8, respectively. It is an orally bioavailable inhibitor of BET family of proteins that has demonstrated antitumour activity in preclinical models of solid and hematologic malignancies.
Synonyms:exact_synonym: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
 related_synonym: Formula=C22H22ClN5O2;   GSK-525762A;   GSK525762;   GSK525762A;   I-BET 762;   I-BET762;   InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1;   InChIKey=AAAQFGUYHFJNHI-SFHVURJKSA-N;   SMILES=CCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(C=CC(OC)=C2)N2C(C)=NN=C12;   molibresibum
 xref: CAS:1260907-17-2;   DrugBank:DB16239;   HMDB:HMDB0244491;   KEGG:D11326;   LINCS:LSM-6334
 xref_mesh: MESH:C554645
 xref: PDBeChem:EAM;   PMID:21068722;   PMID:21568322;   PMID:24015967;   PMID:24107192;   PMID:24335499;   PMID:24985178;   PMID:25338565;   PMID:26304078;   PMID:26367539;   PMID:28024472;   PMID:28254412;   PMID:28648518;   PMID:29246957;   PMID:29476043;   PMID:29777912;   PMID:29802402;   PMID:29928885;   PMID:32328561;   PMID:32820548;   PMID:33339368;   PMID:33876939;   PMID:33907583;   PMID:33955700;   PMID:34648693;   PMID:34724226;   PMID:35175516;   PMID:35357834;   PMID:35758684;   PMID:36139416;   PMID:36350312;   PMID:36834533;   PMID:37992310;   PMID:38017059;   PMID:38565708;   PMID:38669046


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molibresib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Apc APC regulator of WNT signaling pathway decreases response to substance ISO APC mutant form results in decreased susceptibility to molibresib CTD PMID:26367796 NCBI chr18:25,828,558...25,925,511
Ensembl chr18:25,864,222...25,922,696 		JBrowse link
G Apoa1 apolipoprotein A1 increases expression ISO molibresib results in increased expression of APOA1 mRNA; molibresib results in increased expression of APOA1 protein CTD PMID:21568322 NCBI chr 8:46,527,251...46,529,035
Ensembl chr 8:46,527,144...46,529,035 		JBrowse link
G Car9 carbonic anhydrase 9 decreases expression
multiple interactions		 ISO molibresib results in decreased expression of CA9 mRNA
molibresib inhibits the reaction [Oxygen deficiency results in increased expression of CA9 mRNA]		 CTD PMID:27292261 NCBI chr 5:57,763,234...57,769,838
Ensembl chr 5:57,763,206...57,769,838 		JBrowse link
G Casp3 caspase 3 increases activity ISO molibresib results in increased activity of CASP3 protein CTD PMID:26911376 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G Casp7 caspase 7 increases activity ISO molibresib results in increased activity of CASP7 protein CTD PMID:26911376 NCBI chr 1:255,437,438...255,476,737
Ensembl chr 1:255,437,172...255,476,729 		JBrowse link
G Ccnd1 cyclin D1 decreases expression ISO molibresib results in decreased expression of CCND1 mRNA CTD PMID:24874954 NCBI chr 1:200,089,002...200,098,524
Ensembl chr 1:200,089,002...200,098,602 		JBrowse link
G Dkk1 dickkopf WNT signaling pathway inhibitor 1 multiple interactions ISO DKK1 protein inhibits the reaction [KMT2A protein results in decreased susceptibility to molibresib] CTD PMID:26367796 NCBI chr 1:228,381,521...228,385,202
Ensembl chr 1:228,381,521...228,385,202 		JBrowse link
G Epas1 endothelial PAS domain protein 1 increases expression
multiple interactions		 ISO molibresib results in increased expression of EPAS1 mRNA
[Oxygen deficiency co-treated with molibresib] results in increased expression of EPAS1 mRNA		 CTD PMID:27292261 NCBI chr 6:7,790,236...7,871,717
Ensembl chr 6:7,790,647...7,871,228 		JBrowse link
G Esr1 estrogen receptor 1 decreases expression ISO molibresib results in decreased expression of ESR1 mRNA CTD PMID:24874954 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002 		JBrowse link
G Greb1 growth regulating estrogen receptor binding 1 decreases expression ISO molibresib results in decreased expression of GREB1 mRNA CTD PMID:24874954 NCBI chr 6:39,440,522...39,562,364
Ensembl chr 6:39,440,504...39,581,633 		JBrowse link
G Ifng interferon gamma multiple interactions ISO molibresib inhibits the reaction [IL15 protein results in increased expression of IFNG protein] CTD PMID:29301935 NCBI chr 7:53,903,339...53,907,375
Ensembl chr 7:53,903,337...53,907,375 		JBrowse link
G Il15 interleukin 15 multiple interactions ISO molibresib inhibits the reaction [IL15 protein results in increased expression of IFNG protein] CTD PMID:29301935 NCBI chr19:25,640,025...25,706,818
Ensembl chr19:25,640,251...25,706,820 		JBrowse link
G Kmt2a lysine methyltransferase 2A multiple interactions
decreases response to substance		 ISO DKK1 protein inhibits the reaction [KMT2A protein results in decreased susceptibility to molibresib]; pyrvinium inhibits the reaction [KMT2A protein results in decreased susceptibility to molibresib] CTD PMID:26367796 NCBI chr 8:45,116,763...45,193,320
Ensembl chr 8:45,118,814...45,193,181 		JBrowse link
G Lox lysyl oxidase multiple interactions
decreases expression		 ISO molibresib inhibits the reaction [Oxygen deficiency results in increased expression of LOX mRNA]
molibresib results in decreased expression of LOX mRNA		 CTD PMID:27292261 NCBI chr18:45,964,544...45,977,431
Ensembl chr18:45,967,343...46,041,477 		JBrowse link
G Myc MYC proto-oncogene, bHLH transcription factor multiple interactions ISO molibresib inhibits the reaction [Oxygen deficiency results in increased expression of MYC mRNA] CTD PMID:27292261 NCBI chr 7:93,593,705...93,598,633
Ensembl chr 7:93,593,705...93,598,630 		JBrowse link
G Pfkfb3 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3 increases expression
multiple interactions		 ISO molibresib results in increased expression of PFKFB3 mRNA
molibresib promotes the reaction [Oxygen deficiency results in increased expression of PFKFB3 mRNA]		 CTD PMID:27292261 NCBI chr17:66,983,629...67,064,702
Ensembl chr17:66,983,686...67,063,125 		JBrowse link
G Tff1 trefoil factor 1 decreases expression ISO molibresib results in decreased expression of TFF1 mRNA CTD PMID:24874954 NCBI chr20:9,235,736...9,239,597
Ensembl chr20:9,235,736...9,239,597 		JBrowse link
G Tmem45a transmembrane protein 45A multiple interactions ISO molibresib inhibits the reaction [Oxygen deficiency results in increased expression of TMEM45A mRNA] CTD PMID:27292261 NCBI chr11:43,713,309...43,799,526
Ensembl chr11:43,713,782...43,799,526 		JBrowse link
G Vegfa vascular endothelial growth factor A decreases expression
multiple interactions		 ISO molibresib results in decreased expression of VEGFA mRNA
molibresib inhibits the reaction [Oxygen deficiency results in increased expression of VEGFA mRNA]		 CTD PMID:27292261 NCBI chr 9:14,955,300...14,970,641
Ensembl chr 9:14,955,300...14,970,641 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      biological role 19848
        biochemical role 19556
          apoptosis inducer 13663
            molibresib 19
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbon oxoacid 18658
                                    carboxylic acid 18655
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17550
                                            carboxamide 17550
                                              secondary carboxamide 1253
                                                molibresib 19
paths to the root