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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:vismodegib
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Accession:CHEBI:66903 term browser browse the term
Definition:A benzamide obtained by formal condensation between the carboxy group of 2-chloro-4-(methylsulfonyl)benzoic acid and the anilino group of 4-chloro-3-(pyridin-2-yl)aniline. Used for the treatment metastatic basal cell carcinoma.
Synonyms:exact_synonym: 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide
 related_synonym: Erivedge;   Formula=C19H14Cl2N2O3S;   InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24);   InChIKey=BPQMGSKTAYIVFO-UHFFFAOYSA-N;   SMILES=CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1;   vismodegibum
 alt_id: MESH:C538724
 xref: CAS:879085-55-9;   Drug_Central:4227
 xref_mesh: MESH:C538724
 xref: PMID:21602311;   PMID:21610148;   PMID:21753154;   PMID:22458643;   PMID:22489352;   PMID:22618984;   PMID:22653209;   PMID:22670903;   PMID:22670904;   PMID:22679179;   PMID:22718857;   PMID:22777303;   PMID:22788238;   PMID:22805146;   PMID:22844657;   Reaxys:12532124;   Wikipedia:Vismodegib


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vismodegib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Agt angiotensinogen multiple interactions ISO HhAntag691 inhibits the reaction [AGT protein results in decreased expression of GLI3 protein]; HhAntag691 inhibits the reaction [AGT protein results in increased expression of GLI1 protein]; HhAntag691 inhibits the reaction [AGT protein results in increased expression of GLI2 protein]; HhAntag691 inhibits the reaction [AGT protein results in increased expression of SHH protein] CTD PMID:31181250 NCBI chr19:57,321,594...57,333,460
Ensembl chr19:57,321,640...57,333,433
JBrowse link
G Bcl2 BCL2, apoptosis regulator multiple interactions
decreases expression
ISO [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in decreased expression of BCL2 protein] CTD PMID:22087285 NCBI chr13:26,605,426...26,769,374
Ensembl chr13:26,605,426...26,769,374
JBrowse link
G Casp3 caspase 3 increases cleavage ISO HhAntag691 results in increased cleavage of CASP3 protein CTD PMID:22087285 NCBI chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204
JBrowse link
G Ccnd1 cyclin D1 decreases expression ISO HhAntag691 results in decreased expression of CCND1 mRNA CTD PMID:24973920 NCBI chr 1:218,090,750...218,100,447
Ensembl chr 1:218,090,750...218,100,325
JBrowse link
G Ccnd2 cyclin D2 decreases expression ISO HhAntag691 results in decreased expression of CCND2 mRNA CTD PMID:24973920 NCBI chr 4:159,674,885...159,697,207
Ensembl chr 4:159,674,885...159,697,207
JBrowse link
G Cdk6 cyclin-dependent kinase 6 decreases expression ISO HhAntag691 results in decreased expression of CDK6 mRNA CTD PMID:24973920 NCBI chr 4:27,781,728...27,969,653
Ensembl chr 4:27,785,647...27,966,398
JBrowse link
G Fas Fas cell surface death receptor increases expression
multiple interactions
ISO HhAntag691 results in increased expression of FAS protein
[GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in increased expression of FAS protein]
CTD PMID:22087285 NCBI chr 1:252,589,785...252,624,790
Ensembl chr 1:252,589,785...252,624,790
JBrowse link
G Gli1 GLI family zinc finger 1 multiple interactions
decreases expression
ISO [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in decreased expression of BCL2 protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in decreased expression of PDGFRA protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in increased expression of FAS protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in increased expression of TNFRSF10A protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in increased expression of TNFRSF10B protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the susceptibility to HhAntag691; HhAntag691 inhibits the reaction [AGT protein results in increased expression of GLI1 protein]; HhAntag691 inhibits the reaction [SHH protein results in increased expression of GLI1 mRNA]
HhAntag691 results in decreased expression of GLI1 mRNA
CTD PMID:22087285, PMID:24973920, PMID:27585885, PMID:31181250, PMID:31642701 NCBI chr 7:70,620,794...70,633,171
Ensembl chr 7:70,620,766...70,630,338
JBrowse link
G Gli2 GLI family zinc finger 2 multiple interactions
increases response to substance
decreases expression
decreases response to substance
ISO [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in decreased expression of BCL2 protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in decreased expression of PDGFRA protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in increased expression of FAS protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in increased expression of TNFRSF10A protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in increased expression of TNFRSF10B protein]; [GLI1 mRNA co-treated with GLI2 mRNA] affects the susceptibility to HhAntag691; HhAntag691 inhibits the reaction [AGT protein results in increased expression of GLI2 protein]
GLI2 gene mutant form results in increased susceptibility to HhAntag691
HhAntag691 results in decreased expression of GLI2 mRNA
GLI2 protein results in decreased susceptibility to HhAntag691
GLI2 gene mutant form promotes the reaction [HhAntag691 inhibits the reaction [SHH protein results in increased expression of PTCH1 mRNA]]; HhAntag691 inhibits the reaction [SUFU gene mutant form results in increased expression of GLI2 mRNA]
CTD PMID:22087285, PMID:24973920, PMID:27585885, PMID:31181250 NCBI chr13:34,829,021...35,049,172
Ensembl chr13:34,829,139...35,048,444
JBrowse link
G Gli3 GLI family zinc finger 3 multiple interactions ISO HhAntag691 inhibits the reaction [AGT protein results in decreased expression of GLI3 protein] CTD PMID:31181250 NCBI chr17:52,294,942...52,569,036
Ensembl chr17:52,294,942...52,569,036
JBrowse link
G Hhip Hedgehog-interacting protein decreases expression ISO HhAntag691 results in decreased expression of HHIP mRNA CTD PMID:24973920 NCBI chr19:31,525,134...31,614,487
Ensembl chr19:31,524,671...31,614,246
JBrowse link
G Mycn MYCN proto-oncogene, bHLH transcription factor decreases response to substance ISO MYCN protein results in decreased susceptibility to HhAntag691 CTD PMID:24973920 NCBI chr 6:38,222,554...38,228,419
Ensembl chr 6:38,222,555...38,228,379
JBrowse link
G Pax6 paired box 6 increases expression ISO HhAntag691 results in increased expression of PAX6 mRNA CTD PMID:27585885 NCBI chr 3:95,700,241...95,728,682
Ensembl chr 3:95,707,386...95,728,624
JBrowse link
G Pdgfra platelet derived growth factor receptor alpha multiple interactions
decreases expression
ISO [GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in decreased expression of PDGFRA protein] CTD PMID:22087285 NCBI chr14:35,527,926...35,581,130
Ensembl chr14:35,527,927...35,581,031
JBrowse link
G Ptch1 patched 1 decreases expression
multiple interactions
ISO HhAntag691 results in decreased expression of PTCH1 mRNA
GLI2 gene mutant form promotes the reaction [HhAntag691 inhibits the reaction [SHH protein results in increased expression of PTCH1 mRNA]]; HhAntag691 inhibits the reaction [SHH protein results in increased expression of PTCH1 mRNA]
CTD PMID:22087285, PMID:24973920, PMID:27585885 NCBI chr17:1,032,242...1,085,885
Ensembl chr17:1,029,048...1,093,873
JBrowse link
G Ptch2 patched 2 decreases expression ISO HhAntag691 results in decreased expression of PTCH2 mRNA CTD PMID:22087285 NCBI chr 5:135,962,252...135,983,816
Ensembl chr 5:135,962,911...135,983,816
JBrowse link
G Shh sonic hedgehog signaling molecule decreases expression
multiple interactions
ISO HhAntag691 results in decreased expression of SHH mRNA
HhAntag691 inhibits the reaction [AGT protein results in increased expression of SHH protein]; HhAntag691 inhibits the reaction [SHH protein results in increased expression of GLI1 mRNA]
GLI2 gene mutant form promotes the reaction [HhAntag691 inhibits the reaction [SHH protein results in increased expression of PTCH1 mRNA]]; HhAntag691 inhibits the reaction [SHH protein results in increased expression of PTCH1 mRNA]
CTD PMID:27585885, PMID:31181250, PMID:31642701 NCBI chr 4:718,538...727,691
Ensembl chr 4:718,538...727,691
JBrowse link
G Smo smoothened, frizzled class receptor decreases expression
decreases response to substance
ISO HhAntag691 results in decreased expression of SMO mRNA
SMO protein mutant form results in decreased susceptibility to HhAntag691
CTD PMID:22087285, PMID:24973920 NCBI chr 4:57,019,941...57,041,779
Ensembl chr 4:57,019,941...57,042,770
JBrowse link
G Sufu SUFU negative regulator of hedgehog signaling decreases response to substance
multiple interactions
ISO SUFU gene mutant form results in decreased susceptibility to HhAntag691
HhAntag691 inhibits the reaction [SUFU gene mutant form results in increased expression of GLI2 mRNA]
CTD PMID:24973920 NCBI chr 1:266,143,766...266,241,742
Ensembl chr 1:266,143,818...266,239,016
JBrowse link
G Tnfrsf10b TNF receptor superfamily member 10b increases expression
multiple interactions
ISO HhAntag691 results in increased expression of TNFRSF10A protein
[GLI1 mRNA co-treated with GLI2 mRNA] affects the reaction [HhAntag691 results in increased expression of TNFRSF10A protein]
CTD PMID:22087285 NCBI chr15:51,433,853...51,464,215 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        aetiopathogenetic role 18936
          teratogenic agent 15853
            vismodegib 20
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic acid 18060
                                        carboacyl group 17346
                                          univalent carboacyl group 17346
                                            carbamoyl group 17132
                                              carboxamide 17132
                                                monocarboxylic acid amide 14551
                                                  arenecarboxamide 6507
                                                    benzamides 6507
                                                      vismodegib 20
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.