CHEBI:66903 - vismodegib

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ChEBI Name vismodegib
ChEBI ID CHEBI:66903
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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H14Cl2N2O3S
Net Charge 0
Average Mass 421.29700
Monoisotopic Mass 420.010
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)
InChIKey BPQMGSKTAYIVFO-UHFFFAOYSA-N
SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1
Roles Classification
Biological Role(s): SMO receptor antagonist
An antagonist that interferes with the action of smoothened (SMO) receptor.
Hedgehog signaling pathway inhibitor
Any pathway inhibitor that inhibits the Hedgehog signalling pathway.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing vismodegib (CHEBI:66903) has role antineoplastic agent (CHEBI:35610)
vismodegib (CHEBI:66903) has role Hedgehog signaling pathway inhibitor (CHEBI:140921)
vismodegib (CHEBI:66903) has role SMO receptor antagonist (CHEBI:66908)
vismodegib (CHEBI:66903) is a benzamides (CHEBI:22702)
vismodegib (CHEBI:66903) is a monochlorobenzenes (CHEBI:83403)
vismodegib (CHEBI:66903) is a pyridines (CHEBI:26421)
vismodegib (CHEBI:66903) is a sulfone (CHEBI:35850)
IUPAC Name
2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide
INNs Sources
vismodegib KEGG DRUG
vismodégib WHO MedNet
vismodegib WHO MedNet
vismodegibum WHO MedNet
Brand Name Source
Erivedge ChemIDplus
Manual Xrefs Databases
4227 DrugCentral
Vismodegib Wikipedia
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Registry Numbers Types Sources
12532124 Reaxys Registry Number Reaxys
879085-55-9 CAS Registry Number KEGG DRUG
879085-55-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
01 June 2018