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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:nirogacestat
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Accession:CHEBI:229217 term browser browse the term
Definition:A member of the class of imidazoles that is 1H-imidazole substituted by a 1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl group at position 1 and a {N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-L-norvalyl}amino group at position 4. It is a gamma-secretase inhibitor whose hydrobromide salt is indicated for adult patients with progressing desmoid tumours who require systemic treatment.
Synonyms:exact_synonym: N(2)-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1-{1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl}-1H-imidazol-4-yl)-L-norvalinamide
 related_synonym: (2S)-2-{[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino}-N-(1-{1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl}-1H-imidazol-4-yl)pentanamide;   (S)-2-((S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-3-ylamino)-N-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1H-imidazol-4-yl)pentanamide;   Formula=C27H41F2N5O;   InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1;   InChIKey=VFCRKLWBYMDAED-REWPJTCUSA-N;   PF-03084014;   PF-3084014;   SMILES=CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C;   nirogacestatum
 xref: CAS:1290543-63-3;   DrugBank:DB12005;   HMDB:HMDB0255626;   KEGG:D10960
 xref_mesh: MESH:C550722
 xref: PMCID:PMC10428426;   PMCID:PMC10431067;   PMCID:PMC9429688;   PMID:20363853;   PMID:22806875;   PMID:23408105;   PMID:24573979;   PMID:24664981;   PMID:25231399;   PMID:26202948;   PMID:26407235;   PMID:27906684;   PMID:28350521;   PMID:28522590;   PMID:28887726;   PMID:29232766;   PMID:29658567;   PMID:30405889;   PMID:31211955;   PMID:32762028;   PMID:33682447;   PMID:33791203;   PMID:34994644;   PMID:35670122;   PMID:36068332;   PMID:36884323;   PMID:36997640;   PMID:37325381;   PMID:37441471;   PMID:37793461;   PMID:38237731;   PMID:38409573;   Wikipedia:Nirogacestat
 cyclic_relationship: is_conjugate_base_of CHEBI:229219


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nirogacestat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ar androgen receptor multiple interactions ISO [nirogacestat results in increased susceptibility to enzalutamide] which results in decreased expression of AR protein CTD PMID:30940724 NCBI chr  X:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925 		JBrowse link
G Hes1 hes family bHLH transcription factor 1 decreases expression ISO nirogacestat results in decreased expression of HES1 protein CTD PMID:30940724 NCBI chr11:70,705,763...70,708,176
Ensembl chr11:70,705,764...70,708,192 		JBrowse link
G Klk1c10 kallikrein 1-related peptidase C10 multiple interactions ISO [nirogacestat results in increased susceptibility to enzalutamide] which results in decreased expression of KLK3 protein CTD PMID:30940724 NCBI chr 1:94,402,993...94,407,052
Ensembl chr 1:94,402,993...94,407,052 		JBrowse link
G Myc MYC proto-oncogene, bHLH transcription factor decreases expression ISO nirogacestat results in decreased expression of MYC protein CTD PMID:30940724 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
multiple interactions		 ISO nirogacestat results in increased cleavage of PARP1 protein
[nirogacestat results in increased susceptibility to enzalutamide] which results in increased cleavage of PARP1 protein		 CTD PMID:30940724 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      application 19714
        pharmaceutical 19550
          drug 19550
            antineoplastic agent 17830
              nirogacestat 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  carbon oxoacid 18675
                                    carboxylic acid 18672
                                      carboacyl group 17712
                                        univalent carboacyl group 17712
                                          carbamoyl group 17563
                                            carboxamide 17563
                                              secondary carboxamide 1252
                                                nirogacestat 5
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