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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:pevonedistat
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Accession:CHEBI:145535 term browser browse the term
Definition:A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes.
Synonyms:exact_synonym: [(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate
 related_synonym: Formula=C21H25N5O4S;   InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1;   InChIKey=MPUQHZXIXSTTDU-QXGSTGNESA-N;   MLN 4924;   MLN4924;   SMILES=C1=CC2=C(C=C1)[C@H](CC2)NC3=C4C(=NC=N3)N(C=C4)[C@@H]5C[C@H]([C@H](C5)O)COS(N)(=O)=O;   [(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxy-cyclopentyl]methyl sulfamate;   pevonedistatum
 xref: CAS:905579-51-3;   DrugBank:DB11759;   KEGG:D10413;   LINCS:LSM-6263
 xref_mesh: MESH:C539933
 xref: PDBeChem:B39;   PMID:19360080;   PMID:20129059;   PMID:25733005;   PMID:26292710;   PMID:26561559;   PMID:27551465;   PMID:27783255;   PMID:27901050;   PMID:28578874;   PMID:28717191;   PMID:28838998;   PMID:29348128;   PMID:29667067;   PMID:30020196;   PMID:30341788;   PMID:30545630;   PMID:30556867;   PMID:30845347;   PMID:30850948;   PMID:31002342;   PMID:31355467;   PMID:31528694;   PMID:31665821;   Wikipedia:Pevonedistat



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pevonedistat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bbc3 Bcl-2 binding component 3 affects expression ISO pevonedistat affects the expression of BBC3 mRNA CTD PMID:24634471 NCBI chr 1:77,013,281...77,022,509
Ensembl chr 1:77,014,543...77,022,509
JBrowse link
G Bcl2 BCL2, apoptosis regulator affects expression ISO pevonedistat affects the expression of BCL2 mRNA CTD PMID:24634471 NCBI chr13:22,689,783...22,853,920 JBrowse link
G Bcl2l1 Bcl2-like 1 affects expression ISO pevonedistat affects the expression of BCL2L1 mRNA CTD PMID:24634471 NCBI chr 3:141,253,508...141,304,582
Ensembl chr 3:141,253,523...141,303,479
JBrowse link
G Bcl2l11 BCL2 like 11 affects expression ISO pevonedistat affects the expression of BCL2L11 mRNA; pevonedistat affects the expression of BCL2L11 protein CTD PMID:24634471 NCBI chr 3:115,366,783...115,404,068
Ensembl chr 3:115,366,646...115,404,068
JBrowse link
G Casp3 caspase 3 multiple interactions ISO pevonedistat results in increased cleavage of and results in increased activity of CASP3 protein; Tretinoin promotes the reaction [pevonedistat results in increased cleavage of and results in increased activity of CASP3 protein] CTD PMID:22110742 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Ccl17 C-C motif chemokine ligand 17 affects expression ISO pevonedistat affects the expression of CCL17 mRNA CTD PMID:24634471 NCBI chr19:10,202,317...10,203,768
Ensembl chr19:10,202,128...10,203,819
JBrowse link
G Ccl22 C-C motif chemokine ligand 22 affects expression ISO pevonedistat affects the expression of CCL22 mRNA CTD PMID:24634471 NCBI chr19:10,257,602...10,264,373
Ensembl chr19:10,257,601...10,264,400
JBrowse link
G Ccl5 C-C motif chemokine ligand 5 affects expression ISO pevonedistat affects the expression of CCL5 mRNA CTD PMID:24634471 NCBI chr10:68,322,826...68,327,365
Ensembl chr10:68,322,829...68,327,377
JBrowse link
G Ccnd1 cyclin D1 affects expression ISO pevonedistat affects the expression of CCND1 mRNA CTD PMID:24634471 NCBI chr 1:200,089,002...200,098,524
Ensembl chr 1:200,089,002...200,098,602
JBrowse link
G Ccnd2 cyclin D2 affects expression ISO pevonedistat affects the expression of CCND2 mRNA CTD PMID:24634471 NCBI chr 4:159,966,883...159,989,261
Ensembl chr 4:159,962,363...159,989,495
JBrowse link
G Cd40 CD40 molecule affects expression ISO pevonedistat affects the expression of CD40 mRNA CTD PMID:24634471 NCBI chr 3:153,790,372...153,805,279
Ensembl chr 3:153,790,449...153,805,534
JBrowse link
G Cd74 CD74 molecule affects expression ISO pevonedistat affects the expression of CD74 mRNA CTD PMID:24634471 NCBI chr18:54,256,757...54,266,003
Ensembl chr18:54,256,778...54,266,003
JBrowse link
G Cdt1 chromatin licensing and DNA replication factor 1 increases abundance ISO pevonedistat results in increased abundance of CDT1 protein CTD PMID:22110742 NCBI chr19:50,620,713...50,625,659
Ensembl chr19:50,620,713...50,625,659
JBrowse link
G Cflar CASP8 and FADD-like apoptosis regulator affects expression ISO pevonedistat affects the expression of CFLAR mRNA CTD PMID:24634471 NCBI chr 9:60,185,338...60,236,173
Ensembl chr 9:60,185,452...60,237,034
JBrowse link
G Ctnnb1 catenin beta 1 increases abundance ISO pevonedistat results in increased abundance of CTNNB1 protein CTD PMID:22110742 NCBI chr 8:120,640,008...120,667,110
Ensembl chr 8:120,639,995...120,667,111
JBrowse link
G Cul1 cullin 1 decreases metabolic processing ISO pevonedistat results in decreased metabolism of CUL1 protein CTD PMID:22110742 NCBI chr 4:76,551,952...76,625,830
Ensembl chr 4:76,551,983...76,627,980
JBrowse link
G Cxcl9 C-X-C motif chemokine ligand 9 affects expression ISO pevonedistat affects the expression of CXCL9 mRNA CTD PMID:24634471 NCBI chr14:15,722,868...15,727,779
Ensembl chr14:15,722,908...15,728,435
JBrowse link
G Cxcr3 C-X-C motif chemokine receptor 3 affects expression ISO pevonedistat affects the expression of CXCR3 mRNA CTD PMID:24634471 NCBI chr  X:66,844,318...66,846,969
Ensembl chr  X:66,844,318...66,846,969
JBrowse link
G Cxcr5 C-X-C motif chemokine receptor 5 affects expression ISO pevonedistat affects the expression of CXCR5 mRNA CTD PMID:24634471 NCBI chr 8:44,842,098...44,858,425
Ensembl chr 8:44,843,413...44,857,893
JBrowse link
G Gadd45b growth arrest and DNA-damage-inducible, beta affects expression ISO pevonedistat affects the expression of GADD45B mRNA CTD PMID:24634471 NCBI chr 7:8,778,004...8,780,306
Ensembl chr 7:8,778,007...8,780,046
JBrowse link
G Hsf1 heat shock transcription factor 1 increases activity ISO pevonedistat results in increased activity of HSF1 protein CTD PMID:34170685 NCBI chr 7:108,196,040...108,223,011
Ensembl chr 7:108,196,056...108,223,011
JBrowse link
G Jun Jun proto-oncogene, AP-1 transcription factor subunit increases abundance
multiple interactions
ISO pevonedistat results in increased abundance of JUN protein
Tretinoin promotes the reaction [pevonedistat results in increased abundance of JUN protein]
CTD PMID:22110742 NCBI chr 5:109,894,175...109,897,268
Ensembl chr 5:109,893,145...109,897,656
JBrowse link
G Maf1 MAF1 homolog, negative regulator of RNA polymerase III increases expression ISO pevonedistat results in increased expression of MAF1 protein CTD PMID:31645432 NCBI chr 7:108,075,173...108,078,252
Ensembl chr 7:108,075,189...108,078,249
JBrowse link
G Mir155hg Mir155 host gene affects expression ISO pevonedistat affects the expression of MIR155HG mRNA CTD PMID:24634471 NCBI chr11:23,773,468...23,775,697 JBrowse link
G Myc MYC proto-oncogene, bHLH transcription factor increases expression ISO pevonedistat results in increased expression of MYC protein CTD PMID:25897075 NCBI chr 7:93,593,705...93,598,633
Ensembl chr 7:93,593,705...93,598,630
JBrowse link
G Nfkb1 nuclear factor kappa B subunit 1 affects activity ISO pevonedistat affects the activity of NFKB1 protein CTD PMID:24634471 NCBI chr 2:224,016,214...224,132,135
Ensembl chr 2:224,016,214...224,110,404
JBrowse link
G Nfkbia NFKB inhibitor alpha increases phosphorylation ISO pevonedistat results in increased phosphorylation of NFKBIA protein CTD PMID:22110742 PMID:24634471 NCBI chr 6:72,858,713...72,861,941
Ensembl chr 6:72,858,712...72,861,941
JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases cleavage
multiple interactions
ISO pevonedistat results in increased cleavage of PARP1 protein
pevonedistat results in increased cleavage of and results in increased activity of PARP1 protein; Tretinoin promotes the reaction [pevonedistat results in increased cleavage of and results in increased activity of PARP1 protein]
CTD PMID:22110742 PMID:24634471 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404
JBrowse link
G Pmaip1 phorbol-12-myristate-13-acetate-induced protein 1 increases abundance
affects expression
multiple interactions
ISO pevonedistat results in increased abundance of PMAIP1 protein
pevonedistat affects the expression of PMAIP1 mRNA
Tretinoin promotes the reaction [pevonedistat results in increased abundance of PMAIP1 protein]
CTD PMID:22110742 PMID:24634471 NCBI chr18:59,986,187...59,990,174
Ensembl chr18:59,986,017...59,992,429
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit affects activity ISO pevonedistat affects the activity of RELA protein CTD PMID:24634471 NCBI chr 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484
JBrowse link
G Rictor RPTOR independent companion of MTOR, complex 2 increases expression ISO pevonedistat results in increased expression of RICTOR protein CTD PMID:25897075 NCBI chr 2:55,811,877...55,903,893
Ensembl chr 2:55,811,322...55,901,426
JBrowse link
G Rptor regulatory associated protein of MTOR, complex 1 increases expression ISO pevonedistat results in increased expression of RPTOR protein CTD PMID:25897075 NCBI chr10:104,878,487...105,176,986
Ensembl chr10:104,878,487...105,176,983
JBrowse link
G Sall4 spalt-like transcription factor 4 multiple interactions ISO pevonedistat inhibits the reaction [Thalidomide results in increased degradation of and results in decreased expression of SALL4 protein] CTD PMID:30067223 NCBI chr 3:157,474,067...157,491,055
Ensembl chr 3:157,474,642...157,490,822
JBrowse link
G Stat5a signal transducer and activator of transcription 5A affects expression ISO pevonedistat affects the expression of STAT5A mRNA CTD PMID:24634471 NCBI chr10:85,785,537...85,809,869
Ensembl chr10:85,785,537...85,809,866
JBrowse link
G Uba3 ubiquitin-like modifier activating enzyme 3 decreases activity ISO pevonedistat results in decreased activity of UBA3 protein CTD PMID:22110742 NCBI chr 4:129,789,526...129,810,707
Ensembl chr 4:129,789,204...129,810,606
JBrowse link
G Wee1 WEE1 G2 checkpoint kinase increases abundance ISO pevonedistat results in increased abundance of WEE1 protein CTD PMID:22110742 NCBI chr 1:164,173,681...164,197,688
Ensembl chr 1:164,174,779...164,197,688
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19795
    role 19746
      biological role 19746
        biochemical role 19361
          apoptosis inducer 13311
            pevonedistat 36
Path 2
Term Annotations click to browse term
  CHEBI ontology 19795
    subatomic particle 19794
      composite particle 19794
        hadron 19794
          baryon 19794
            nucleon 19794
              atomic nucleus 19794
                atom 19794
                  main group element atom 19693
                    main group molecular entity 19693
                      s-block molecular entity 19474
                        hydrogen molecular entity 19466
                          hydrides 18830
                            inorganic hydride 17688
                              pnictogen hydride 17668
                                nitrogen hydride 17540
                                  azane 17273
                                    ammonia 17272
                                      organic amino compound 17272
                                        secondary amino compound 6631
                                          pevonedistat 36
paths to the root