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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 1:78,261,491...78,267,802 JBrowse link
G Bcl2 BCL2, apoptosis regulator affects expression ISO pevonedistat affects the expression of BCL2 mRNA CTD PMID:24634471 NCBI chr13:26,605,426...26,769,374
Ensembl chr13:26,605,426...26,769,374
JBrowse link
G Bcl2l1 Bcl2-like 1 affects expression ISO pevonedistat affects the expression of BCL2L1 mRNA CTD PMID:24634471 NCBI chr 3:148,259,594...148,314,191
Ensembl chr 3:148,259,596...148,313,810
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 3:120,726,906...120,764,192
Ensembl chr 3:120,726,906...120,764,192
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 chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204
JBrowse link
G Ccl17 C-C motif chemokine ligand 17 affects expression ISO pevonedistat affects the expression of CCL17 mRNA CTD PMID:24634471 NCBI chr19:10,619,220...10,620,671
Ensembl chr19:10,619,220...10,620,671
JBrowse link
G Ccl22 C-C motif chemokine ligand 22 affects expression ISO pevonedistat affects the expression of CCL22 mRNA CTD PMID:24634471 NCBI chr19:10,674,189...10,681,145
Ensembl chr19:10,674,189...10,681,145
JBrowse link
G Ccl5 C-C motif chemokine ligand 5 affects expression ISO pevonedistat affects the expression of CCL5 mRNA CTD PMID:24634471 NCBI chr10:70,739,764...70,744,303
Ensembl chr10:70,739,800...70,744,315
JBrowse link
G Ccnd1 cyclin D1 affects expression ISO pevonedistat affects the expression of CCND1 mRNA CTD PMID:24634471 NCBI chr 1:218,090,750...218,100,447
Ensembl chr 1:218,090,750...218,100,325
JBrowse link
G Ccnd2 cyclin D2 affects expression ISO pevonedistat affects the expression of CCND2 mRNA CTD PMID:24634471 NCBI chr 4:159,674,885...159,697,207
Ensembl chr 4:159,674,885...159,697,207
JBrowse link
G Cd40 CD40 molecule affects expression ISO pevonedistat affects the expression of CD40 mRNA CTD PMID:24634471 NCBI chr 3:161,519,789...161,534,943
Ensembl chr 3:161,519,743...161,534,704
JBrowse link
G Cd74 CD74 molecule affects expression ISO pevonedistat affects the expression of CD74 mRNA CTD PMID:24634471 NCBI chr18:56,071,420...56,080,851
Ensembl chr18:56,071,478...56,080,849
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 chr19:55,381,565...55,386,511
Ensembl chr19:55,381,565...55,386,511
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 9:65,534,608...65,586,395
Ensembl chr 9:65,534,704...65,587,251
JBrowse link
G Ctnnb1 catenin beta 1 increases abundance ISO pevonedistat results in increased abundance of CTNNB1 protein CTD PMID:22110742 NCBI chr 8:129,601,511...129,628,378
Ensembl chr 8:129,617,812...129,627,372
JBrowse link
G Cul1 cullin 1 decreases metabolic processing ISO pevonedistat results in decreased metabolism of CUL1 protein CTD PMID:22110742 NCBI chr 4:77,211,814...77,283,369
Ensembl chr 4:77,211,692...77,280,250
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 chr14:17,228,832...17,233,743
Ensembl chr14:17,228,856...17,234,712
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:71,614,346...71,616,997
Ensembl chr  X:71,614,346...71,616,997
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 8:48,835,688...48,852,032
Ensembl chr 8:48,836,957...48,850,671
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 7:11,646,283...11,648,338
Ensembl chr 7:11,646,269...11,648,322
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 5:114,011,184...114,014,277
Ensembl chr 5:114,011,189...114,014,277
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 7:117,417,643...117,420,722
Ensembl chr 7:117,417,687...117,420,719
JBrowse link
G Mir155hg Mir155 host gene affects expression ISO pevonedistat affects the expression of MIR155HG mRNA CTD PMID:24634471 NCBI chr11:24,175,417...24,177,646 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 7:102,586,313...102,591,240
Ensembl chr 7:102,586,313...102,591,240
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 2:240,773,520...240,890,053
Ensembl chr 2:240,773,456...240,866,689
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 6:76,267,227...76,270,457
Ensembl chr 6:76,267,228...76,270,457
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 chr13:98,857,255...98,889,444
Ensembl chr13:98,857,177...98,889,716
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 chr18:62,159,128...62,179,635
Ensembl chr18:62,174,670...62,181,102
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 1:220,992,770...221,003,249
Ensembl chr 1:220,992,770...221,003,249
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 2:56,013,898...56,105,818
Ensembl chr 2:56,052,643...56,101,803
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 chr10:108,750,620...109,058,691
Ensembl chr10:108,750,620...109,058,691
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 3:165,520,155...165,538,176
Ensembl chr 3:165,520,392...165,537,940
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 chr10:88,764,732...88,789,060
Ensembl chr10:88,764,732...88,789,057
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 4:129,548,411...129,569,550
Ensembl chr 4:129,548,416...129,569,470
JBrowse link
G Wee1 WEE1 G2 checkpoint kinase increases abundance ISO pevonedistat results in increased abundance of WEE1 protein CTD PMID:22110742 NCBI chr 1:174,765,228...174,790,882
Ensembl chr 1:174,767,960...174,786,361
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19720
      biological role 19720
        biochemical role 19310
          apoptosis inducer 11015
            pevonedistat 35
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    main group molecular entity 19662
                      s-block molecular entity 19429
                        hydrogen molecular entity 19423
                          hydrides 18758
                            inorganic hydride 17453
                              pnictogen hydride 17428
                                nitrogen hydride 17272
                                  azane 17003
                                    ammonia 17002
                                      organic amino compound 17001
                                        secondary amino compound 6547
                                          pevonedistat 35
paths to the root