CHEBI:66903 - vismodegib

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ChEBI Name vismodegib
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 420.01022
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)
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.
teratogenic agent
A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
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) has role teratogenic agent (CHEBI:50905)
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)
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
17 December 2018