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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:SCH772984
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Accession:CHEBI:167670 term browser browse the term
Definition:A member of the class of indazoles that is 1H-indazole substituted by pyridin-4-yl and {[(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidin-3-yl]carbonyl}amino groups at positions 3 and 5, respectively. It is a potent inhibitor of mitogen-activated protein kinases ERK1 and ERK2 (IC50 = 4 and 1 nM, respectively) that exhibits anti-cancer properties.
Synonyms:exact_synonym: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
 related_synonym: (3R)-1-[2-oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide;   Formula=C33H33N9O2;   InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1;   InChIKey=HDAJDNHIBCDLQF-RUZDIDTESA-N;   SCH 772984;   SMILES=[H][C@]1(CCN(CC(=O)N2CCN(CC2)C2=CC=C(C=C2)C2=NC=CC=N2)C1)C(=O)NC1=CC2=C(NN=C2C2=CC=NC=C2)C=C1
 xref: CAS:942183-80-4;   LINCS:LSM-45224
 xref_mesh: MESH:C587178
 xref: PDBeChem:38Z;   PDBeChem:F3Z;   PMID:23847348;   PMID:25142146;   PMID:25195011;   PMID:26832798;   PMID:27275127;   PMID:28781955;   PMID:29193645;   PMID:29262554;   PMID:29775310;   PMID:30915617;   PMID:31055884;   PMID:31311868;   PMID:32652503;   PMID:32821122;   PMID:33105944;   PMID:33151174;   PMID:33231464;   PMID:33258389;   PMID:33595872;   PMID:33692846;   PMID:33706642


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SCH772984 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Acta2 actin alpha 2, smooth muscle multiple interactions ISO SCH772984 inhibits the reaction [TGFB1 protein results in increased expression of ACTA2 protein] CTD PMID:31706003 NCBI chr 1:252,537,614...252,550,394
Ensembl chr 1:252,537,615...252,550,394
JBrowse link
G Adm adrenomedullin decreases secretion
multiple interactions
EXP SCH772984 results in decreased secretion of ADM protein
SCH772984 inhibits the reaction [diphenylarsinic acid results in increased secretion of ADM protein]
CTD PMID:28087833 NCBI chr 1:175,443,189...175,447,260
Ensembl chr 1:175,445,088...175,447,259
JBrowse link
G App amyloid beta precursor protein multiple interactions EXP SCH772984 inhibits the reaction [APP protein modified form results in increased expression of GRK2 protein] CTD PMID:30399361 NCBI chr11:24,425,013...24,641,872
Ensembl chr11:24,425,005...24,641,858
JBrowse link
G Ccl2 C-C motif chemokine ligand 2 multiple interactions EXP SCH772984 inhibits the reaction [diphenylarsinic acid results in increased secretion of CCL2 protein] CTD PMID:28087833 NCBI chr10:69,412,065...69,413,863
Ensembl chr10:69,412,017...69,413,870
JBrowse link
G Creb1 cAMP responsive element binding protein 1 multiple interactions EXP SCH772984 inhibits the reaction [diphenylarsinic acid results in increased phosphorylation of and results in increased expression of CREB1 protein]; SCH772984 results in decreased phosphorylation of and results in decreased expression of CREB1 protein CTD PMID:28087833 NCBI chr 9:71,229,753...71,298,994
Ensembl chr 9:71,230,108...71,293,435
JBrowse link
G Cxcl1 C-X-C motif chemokine ligand 1 multiple interactions EXP SCH772984 inhibits the reaction [diphenylarsinic acid results in increased secretion of CXCL1 protein] CTD PMID:28087833 NCBI chr14:18,743,678...18,745,457
Ensembl chr14:18,743,685...18,745,457
JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 multiple interactions EXP SCH772984 inhibits the reaction [Ethylene Chlorohydrin results in increased expression of CYP2E1 mRNA]; SCH772984 inhibits the reaction [Ethylene Chlorohydrin results in increased expression of CYP2E1 protein] CTD PMID:31585129 NCBI chr 1:213,511,892...213,522,195
Ensembl chr 1:213,511,874...213,535,542
JBrowse link
G Fgf2 fibroblast growth factor 2 multiple interactions
increases secretion
EXP SCH772984 promotes the reaction [diphenylarsinic acid results in increased secretion of FGF2 protein]
SCH772984 results in increased secretion of FGF2 protein
CTD PMID:28087833 NCBI chr 2:124,081,072...124,134,133
Ensembl chr 2:124,081,072...124,134,681
JBrowse link
G Fos Fos proto-oncogene, AP-1 transcription factor subunit multiple interactions EXP [SCH772984 co-treated with bilobalide] inhibits the reaction [Oxaliplatin promotes the reaction [Morphine results in increased expression of FOS protein]]; SCH772984 inhibits the reaction [diphenylarsinic acid results in increased expression of and results in increased phosphorylation of FOS protein]; SCH772984 inhibits the reaction [Oxaliplatin promotes the reaction [Morphine results in increased expression of FOS protein]] CTD PMID:28087833 PMID:32319158 NCBI chr 6:109,300,433...109,303,299
Ensembl chr 6:109,300,433...109,303,299
JBrowse link
G Gpr4 G protein-coupled receptor 4 multiple interactions ISO SCH772984 inhibits the reaction [GPR4 protein affects the phosphorylation of MAPK1 protein]; SCH772984 inhibits the reaction [GPR4 protein affects the phosphorylation of MAPK3 protein] CTD PMID:33161135 NCBI chr 1:80,125,639...80,136,786
Ensembl chr 1:80,135,391...80,136,880
JBrowse link
G Grk2 G protein-coupled receptor kinase 2 multiple interactions EXP SCH772984 inhibits the reaction [APP protein modified form results in increased expression of GRK2 protein] CTD PMID:30399361 NCBI chr 1:219,536,220...219,544,329
Ensembl chr 1:219,536,220...219,544,328
JBrowse link
G Hspa1a heat shock protein family A (Hsp70) member 1A multiple interactions EXP SCH772984 inhibits the reaction [diphenylarsinic acid results in increased expression of HSPA1A protein] CTD PMID:28087833 NCBI chr20:4,875,834...4,881,751
Ensembl chr20:4,877,324...4,879,779
JBrowse link
G Il6 interleukin 6 multiple interactions EXP SCH772984 promotes the reaction [diphenylarsinic acid results in increased secretion of IL6 protein] CTD PMID:28087833 NCBI chr 4:3,043,231...3,047,807
Ensembl chr 4:3,043,231...3,047,807
JBrowse link
G Jun Jun proto-oncogene, AP-1 transcription factor subunit multiple interactions EXP SCH772984 inhibits the reaction [diphenylarsinic acid results in increased expression of and results in increased phosphorylation of JUN protein] CTD PMID:28087833 NCBI chr 5:114,011,184...114,014,277
Ensembl chr 5:114,011,189...114,014,277
JBrowse link
G Map2k1 mitogen activated protein kinase kinase 1 increases phosphorylation EXP SCH772984 results in increased phosphorylation of MAP2K1 protein CTD PMID:28087833 NCBI chr 8:69,134,218...69,722,573
Ensembl chr 8:69,134,223...69,164,758
JBrowse link
G Map2k2 mitogen activated protein kinase kinase 2 increases phosphorylation EXP SCH772984 results in increased phosphorylation of MAP2K2 protein CTD PMID:28087833 NCBI chr 7:11,458,971...11,478,520
Ensembl chr 7:11,458,967...11,478,489
JBrowse link
G Mapk1 mitogen activated protein kinase 1 increases phosphorylation
multiple interactions
decreases expression
decreases activity
EXP
ISO
SCH772984 results in increased phosphorylation of MAPK1 protein
SCH772984 inhibits the reaction [GPR4 protein affects the phosphorylation of MAPK1 protein]; SCH772984 inhibits the reaction [Ozone results in increased phosphorylation of MAPK1 protein]; SCH772984 inhibits the reaction [saikosaponin D results in increased phosphorylation of and results in increased activity of MAPK1 protein]
SCH772984 inhibits the reaction [diphenylarsinic acid results in increased phosphorylation of MAPK1 protein]
SCH772984 results in decreased expression of MAPK1 protein
SCH772984 results in decreased activity of MAPK1 protein
CTD PMID:28087833 PMID:29925859 PMID:32822868 PMID:33161135 NCBI chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254
JBrowse link
G Mapk3 mitogen activated protein kinase 3 decreases activity
decreases expression
multiple interactions
increases phosphorylation
EXP
ISO
SCH772984 results in decreased activity of MAPK3 protein
SCH772984 results in decreased expression of MAPK3 protein
SCH772984 inhibits the reaction [GPR4 protein affects the phosphorylation of MAPK3 protein]; SCH772984 inhibits the reaction [Ozone results in increased phosphorylation of MAPK3 protein]; SCH772984 inhibits the reaction [saikosaponin D results in increased phosphorylation of and results in increased activity of MAPK3 protein]
SCH772984 results in increased phosphorylation of MAPK3 protein
SCH772984 inhibits the reaction [diphenylarsinic acid results in increased phosphorylation of MAPK3 protein]
CTD PMID:28087833 PMID:29925859 PMID:32822868 PMID:33161135 NCBI chr 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975
JBrowse link
G Mapk8 mitogen-activated protein kinase 8 decreases expression
multiple interactions
EXP SCH772984 results in decreased expression of MAPK8 protein
SCH772984 inhibits the reaction [diphenylarsinic acid results in increased phosphorylation of MAPK8 protein]
CTD PMID:28087833 NCBI chr16:9,620,854...9,709,342
Ensembl chr16:9,625,177...9,709,347
JBrowse link
G Nfe2l2 nuclear factor, erythroid 2-like 2 multiple interactions EXP SCH772984 inhibits the reaction [diphenylarsinic acid results in increased expression of NFE2L2 protein] CTD PMID:28087833 NCBI chr 3:62,497,568...62,525,146
Ensembl chr 3:62,497,571...62,524,996
JBrowse link
G Sp1 Sp1 transcription factor multiple interactions EXP SCH772984 inhibits the reaction [Ethylene Chlorohydrin results in increased expression of and results in increased phosphorylation of SP1 protein]; SCH772984 inhibits the reaction [Ethylene Chlorohydrin results in increased expression of SP1 mRNA] CTD PMID:31585129 NCBI chr 7:144,014,173...144,044,635
Ensembl chr 7:144,014,173...144,044,629
JBrowse link
G Spi1 Spi-1 proto-oncogene multiple interactions ISO SCH772984 inhibits the reaction [saikosaponin D results in increased expression of SPI1 protein] CTD PMID:32822868 NCBI chr 3:79,918,127...79,937,708
Ensembl chr 3:79,918,969...79,938,301
JBrowse link
G Tgfb1 transforming growth factor, beta 1 multiple interactions ISO SCH772984 inhibits the reaction [TGFB1 protein results in increased expression of ACTA2 protein]; SCH772984 inhibits the reaction [TGFB1 protein results in increased expression of VIM protein] CTD PMID:31706003 NCBI chr 1:82,480,875...82,497,196
Ensembl chr 1:82,480,195...82,497,199
JBrowse link
G Vim vimentin multiple interactions ISO SCH772984 inhibits the reaction [TGFB1 protein results in increased expression of VIM protein] CTD PMID:31706003 NCBI chr17:80,882,715...80,891,200
Ensembl chr17:80,882,666...80,891,212
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19773
    role 19723
      biological role 19723
        pharmacological role 18833
          analgesic 13094
            SCH772984 24
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19771
      composite particle 19771
        hadron 19771
          baryon 19771
            nucleon 19771
              atomic nucleus 19771
                atom 19771
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19583
                        carbon atom 19573
                          organic molecular entity 19573
                            organic group 18603
                              organic divalent group 18594
                                organodiyl group 18594
                                  carbonyl group 18507
                                    carbonyl compound 18507
                                      carboxylic acid 18159
                                        carboacyl group 17415
                                          univalent carboacyl group 17415
                                            carbamoyl group 17211
                                              carboxamide 17211
                                                monocarboxylic acid amide 14599
                                                  pyrrolidinecarboxamide 32
                                                    SCH772984 24
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