loading...| Preferred Name |
vismodegib |
|
| Synonyms |
2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide C19H14Cl2N2O3S vismodegib vismodegibum Erivedge 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_66903 |
|
| AHFScode |
10:00 |
|
| ATCCode |
L01XX43 |
|
| blocks | ||
| CASRN |
879085-55-9 |
|
| DBBrand |
erivedge |
|
| DBSynonym |
rg-3616 hedgehog antagonist gdc-0449 gdc-0449 |
|
| 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. Vismodegib inhibits the hedgehog signalling pathway and is indicated for treatment of adult basal cell carcinoma. FDA approved on Jan 30, 2012. |
|
| has pharmacological target | ||
| has role | ||
| InChI |
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) InChI=1/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 |
InChIKey=BPQMGSKTAYIVFO-UHFFFAOYNA-N InChIKey=BPQMGSKTAYIVFO-UHFFFAOYSA-N |
|
| inhibits |
http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_2058 |
|
| is metabolised by | ||
| is substrate of | ||
| is transported by | ||
| label |
vismodegib |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_66901 http://purl.obolibrary.org/obo/CHEBI_2955 http://purl.obolibrary.org/obo/CHEBI_8776 http://purl.obolibrary.org/obo/CHEBI_3732 |
|
| prefixIRI |
obo2:CHEBI_66903 |
|
| prefLabel |
vismodegib |
|
| SMILES |
CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC1=CC=C(Cl)C(=C1)C1=CC=CC=N1 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 |
|
| Synonym |
2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide C19H14Cl2N2O3S vismodegib vismodegibum Erivedge 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide |
|
| xref |
CiteXplore:22777303 CiteXplore:21753154 CiteXplore:22718857 CiteXplore:22844657 National Drug Code Directory:50242-140-01 Drugs.com:http://www.drugs.com/mtm/vismodegib.html Reaxys:12532124 Wikipedia:http://en.wikipedia.org/wiki/Vismodegib ChEMBL:560092 CiteXplore:22805146 CiteXplore:22679179 CiteXplore:22788238 RxList:http://www.rxlist.com/erivedge-drug.htm Wikipedia:Vismodegib PharmGKB:PA166048558 CiteXplore:22489352 CiteXplore:21610148 CASRN:879085-55-9 CiteXplore:22653209 ChEBI:66903 CiteXplore:22458643 CiteXplore:22670904 CiteXplore:22670903 CiteXplore:21602311 CiteXplore:22618984 |
|
| subClassOf |