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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 chr19:52,529,139...52,549,618
Ensembl chr19:52,529,185...52,540,977 		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 chr13:22,689,783...22,853,920
Ensembl chr13:22,684,989...22,853,743
Ensembl chr13:22,684,989...22,853,743 		JBrowse link
G Becn1 beclin 1 multiple interactions ISO HhAntag691 inhibits the reaction [nickel monoxide results in decreased expression of BECN1 protein] CTD PMID:34608745 NCBI chr10:86,231,387...86,246,742
Ensembl chr10:86,231,388...86,246,742 		JBrowse link
G Casp3 caspase 3 increases cleavage ISO HhAntag691 results in increased cleavage of CASP3 protein CTD PMID:22087285 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G Ccnd1 cyclin D1 decreases expression ISO HhAntag691 results in decreased expression of CCND1 mRNA CTD PMID:24973920 NCBI chr 1:200,089,002...200,098,524
Ensembl chr 1:200,089,002...200,098,602 		JBrowse link
G Ccnd2 cyclin D2 decreases expression ISO HhAntag691 results in decreased expression of CCND2 mRNA CTD PMID:24973920 NCBI chr 4:159,966,883...159,989,261
Ensembl chr 4:159,962,363...159,989,495 		JBrowse link
G Cdk6 cyclin-dependent kinase 6 decreases expression ISO HhAntag691 results in decreased expression of CDK6 mRNA CTD PMID:24973920 NCBI chr 4:30,637,650...30,829,688
Ensembl chr 4:30,646,460...30,829,634 		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 1:231,798,963...231,832,591
Ensembl chr 1:231,798,960...231,832,591 		JBrowse link
G Gli1 GLI family zinc finger 1 multiple interactions
decreases expression
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
vismodegib decreases Gli1 protein expression in pituitary adenoma cells		 CTD
RGD		 PMID:22087285 PMID:24973920 PMID:27585885 PMID:31181250 PMID:31642701 More... RGD:150573695 NCBI chr 7:63,156,926...63,169,579
Ensembl chr 7:63,156,926...63,169,251 		JBrowse link
G Gli2 GLI family zinc finger 2 multiple interactions
decreases response to substance
decreases expression
increases 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 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]
HhAntag691 results in decreased expression of GLI2 mRNA
GLI2 gene mutant form results in increased susceptibility to HhAntag691		 CTD PMID:22087285 PMID:24973920 PMID:27585885 PMID:31181250 NCBI chr13:29,946,882...30,163,589
Ensembl chr13:29,946,809...30,163,574 		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 chr17:49,438,567...49,709,712
Ensembl chr17:49,438,567...49,709,712 		JBrowse link
G Hhip Hedgehog-interacting protein decreases expression ISO HhAntag691 results in decreased expression of HHIP mRNA CTD PMID:24973920 NCBI chr19:27,863,684...27,952,528
Ensembl chr19:27,863,213...27,952,528 		JBrowse link
G Map1lc3b microtubule-associated protein 1 light chain 3 beta multiple interactions ISO HhAntag691 inhibits the reaction [nickel monoxide results in decreased lipidation of and results in decreased cleavage of MAP1LC3B protein] CTD PMID:34608745 NCBI chr19:49,665,795...49,673,655
Ensembl chr19:49,665,791...49,677,690
Ensembl chr16:49,665,791...49,677,690 		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 6:35,717,764...35,723,590
Ensembl chr 6:35,717,764...35,723,590 		JBrowse link
G Pax6 paired box 6 increases expression ISO HhAntag691 results in increased expression of PAX6 mRNA CTD PMID:27585885 NCBI chr 3:92,128,772...92,157,022
Ensembl chr 3:92,135,637...92,157,014 		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 chr14:33,005,838...33,054,347
Ensembl chr14:33,005,839...33,054,335 		JBrowse link
G Prkaca protein kinase cAMP-activated catalytic subunit alpha increases expression ISO vismodegib increases protein kinase A protein expression in pituitary adenoma cells RGD PMID:31519191 RGD:150573695 NCBI chr19:24,155,081...24,178,430
Ensembl chr19:24,155,090...24,178,430 		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 chr17:1,542,705...1,607,730
Ensembl chr17:1,542,877...1,607,333 		JBrowse link
G Ptch2 patched 2 decreases expression ISO HhAntag691 results in decreased expression of PTCH2 mRNA CTD PMID:22087285 NCBI chr 5:130,571,956...130,592,506
Ensembl chr 5:130,572,312...130,592,405 		JBrowse link
G Shh sonic hedgehog signaling molecule decreases expression
multiple interactions		 ISO HhAntag691 results in decreased expression of SHH 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]
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]		 CTD PMID:27585885 PMID:31181250 PMID:31642701 NCBI chr 4:6,954,017...6,963,170
Ensembl chr 4:6,954,017...6,963,170 		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 4:58,343,626...58,373,823
Ensembl chr 4:58,343,529...58,373,829 		JBrowse link
G Sqstm1 sequestosome 1 multiple interactions ISO HhAntag691 inhibits the reaction [nickel monoxide results in increased expression of SQSTM1 protein] CTD PMID:34608745 NCBI chr10:34,525,517...34,536,670
Ensembl chr10:34,525,519...34,536,673 		JBrowse link
G Sufu SUFU negative regulator of hedgehog signaling decreases response to substance
multiple interactions
increases expression 		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]
vismodegib increases SUFU protein expression in pituitary adenoma cells		 CTD
RGD		 PMID:24973920 PMID:31519191 RGD:150573695 NCBI chr 1:245,257,725...245,355,576
Ensembl chr 1:245,257,768...245,355,577 		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 chr15:44,840,386...44,868,318
Ensembl chr15:44,840,386...44,867,467 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      biological role 19848
        aetiopathogenetic role 19224
          teratogenic agent 16149
            vismodegib 24
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbon oxoacid 18658
                                    carboxylic acid 18655
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17550
                                            carboxamide 17550
                                              monocarboxylic acid amide 15732
                                                arenecarboxamide 8256
                                                  benzamides 8256
                                                    vismodegib 24
paths to the root