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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:sapanisertib
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Accession:CHEBI:91450 term browser browse the term
Definition:A 1,3-benzoxazole substituted by amino and 4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl groups at positions 2 and 5, respectively. It is a ATP-competitive inhibitor of mTORC1 and mTORC2 that exhibits antineoplastic activity.
Synonyms:exact_synonym: 3-(2-amino-1,3-benzoxazol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
 related_synonym: 3-(2-amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;   5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine;   CB-228;   FTH-003;   Formula=C15H15N7O;   INK 128;   INK128;   InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19);   InChIKey=GYLDXIAOMVERTK-UHFFFAOYSA-N;   MLN 0128;   MLN0128;   SMILES=CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC2=C(OC(N)=N2)C=C1;   TAK 228;   TAK228;   sapanisertibum
 xref: CAS:1224844-38-5;   DrugBank:DB11836;   HMDB:HMDB0244472;   KEGG:D11183;   LINCS:LSM-1206
 xref_mesh: MESH:C572449
 xref: PDBeChem:FE5;   PMCID:PMC5692652;   PMCID:PMC8168110;   PMID:22367541;   PMID:28601972;   PMID:29464110;   PMID:31160383;   PMID:31749911;   PMID:32257249;   PMID:32414750;   PMID:32913286;   PMID:33235998;   PMID:34204960;   PMID:34843044;   PMID:35142090;   PMID:35171658;   PMID:35412171;   PMID:35484114;   PMID:35843739;   PMID:36240971;   PMID:36264382;   PMID:36323854;   PMID:37072571;   PMID:37372982;   PMID:37394756;   PMID:37491309;   PMID:37839313;   PMID:37960985;   PMID:38126764;   PMID:38391917;   PMID:38400671;   PMID:38475728;   PMID:38626436;   PMID:38672538;   PMID:38905731;   Wikipedia:Sapanisertib


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sapanisertib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akt1 AKT serine/threonine kinase 1 decreases phosphorylation ISO sapanisertib results in decreased phosphorylation of AKT1 protein CTD PMID:26536665 NCBI chr 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921 		JBrowse link
G Bcl2l11 Bcl2-like 11 increases expression ISO sapanisertib results in increased expression of BCL2L11 mRNA; sapanisertib results in increased expression of BCL2L11 protein CTD PMID:26536665 NCBI chr 3:115,366,783...115,404,068
Ensembl chr 3:115,366,646...115,404,068 		JBrowse link
G Casp3 caspase 3 increases cleavage ISO sapanisertib results in increased cleavage of CASP3 protein CTD PMID:26536665 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G Casp7 caspase 7 increases cleavage ISO sapanisertib results in increased cleavage of CASP7 protein CTD PMID:26536665 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 sapanisertib results in decreased expression of CCND1 protein CTD PMID:26536665 NCBI chr 1:200,089,002...200,098,524
Ensembl chr 1:200,089,002...200,098,602 		JBrowse link
G Cdkn1b cyclin-dependent kinase inhibitor 1B increases expression ISO sapanisertib results in increased expression of CDKN1B protein CTD PMID:26536665 NCBI chr 4:167,760,067...167,765,177
Ensembl chr 4:167,760,181...167,764,982 		JBrowse link
G Eif4ebp1 eukaryotic translation initiation factor 4E binding protein 1 decreases phosphorylation ISO sapanisertib results in decreased phosphorylation of EIF4EBP1 protein CTD PMID:26536665 NCBI chr16:64,792,595...64,805,984
Ensembl chr16:64,790,226...64,805,984 		JBrowse link
G Foxo3 forkhead box O3 affects localization ISO sapanisertib affects the localization of FOXO3 protein CTD PMID:26536665 NCBI chr20:45,669,708...45,764,606
Ensembl chr20:45,672,995...45,764,561 		JBrowse link
G Mapk1 mitogen activated protein kinase 1 increases phosphorylation ISO sapanisertib results in increased phosphorylation of MAPK1 protein CTD PMID:29384525 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 increases phosphorylation ISO sapanisertib results in increased phosphorylation of MAPK3 protein CTD PMID:29384525 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863 		JBrowse link
G Mki67 marker of proliferation Ki-67 decreases expression
increases cleavage		 ISO sapanisertib results in decreased expression of MKI67 protein
sapanisertib results in increased cleavage of MKI67 protein		 CTD PMID:26536665 NCBI chr 1:190,496,319...190,522,983
Ensembl chr 1:190,496,319...190,522,762 		JBrowse link
G Mtor mechanistic target of rapamycin kinase decreases phosphorylation ISO sapanisertib results in decreased phosphorylation of MTOR protein CTD PMID:26536665 NCBI chr 5:158,884,856...158,994,311
Ensembl chr 5:158,884,804...158,994,311 		JBrowse link
G Myc MYC proto-oncogene, bHLH transcription factor decreases expression ISO sapanisertib results in decreased expression of MYC protein CTD PMID:26536665 NCBI chr 7:93,593,705...93,598,633
Ensembl chr 7:93,593,705...93,598,630 		JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases cleavage ISO sapanisertib results in increased cleavage of PARP1 protein CTD PMID:26536665 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404 		JBrowse link
G Rps6 ribosomal protein S6 decreases expression ISO sapanisertib results in decreased expression of RPS6 protein modified form CTD PMID:29384525 NCBI chr 5:101,371,716...101,374,576
Ensembl chr 5:101,371,136...101,374,602
Ensembl chr 5:101,371,136...101,374,602 		JBrowse link
G Rps6kb1 ribosomal protein S6 kinase B1 decreases phosphorylation ISO sapanisertib results in decreased phosphorylation of RPS6KB1 protein CTD PMID:26536665 NCBI chr10:71,323,777...71,367,908
Ensembl chr10:71,323,777...71,367,908 		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
            sapanisertib 16
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
                    main group molecular entity 19817
                      s-block molecular entity 19653
                        hydrogen molecular entity 19634
                          hydrides 19144
                            inorganic hydride 18161
                              pnictogen hydride 18151
                                nitrogen hydride 18064
                                  azane 17872
                                    ammonia 17871
                                      organic amino compound 17871
                                        aromatic amine 15483
                                          sapanisertib 16
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