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CHEBI:66903 - vismodegib
| Formula | C19H14Cl2N2O3S |
| Net Charge | 0 |
| Average Mass | 421.305 |
| Monoisotopic Mass | 420.01022 |
| SMILES | CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 |
| 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 |
| Wikipedia |
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| Roles Classification |
|---|
| Biological Roles: | Hedgehog signaling pathway inhibitor Any pathway inhibitor that inhibits the Hedgehog signalling pathway. 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. SMO receptor antagonist An antagonist that interferes with the action of smoothened (SMO) receptor. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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) |
| IUPAC Name |
|---|
| 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide |
| INNs | Source |
|---|---|
| vismodegib | KEGG DRUG |
| vismodégib | WHO MedNet |
| vismodegib | WHO MedNet |
| vismodegibum | WHO MedNet |
| Brand Name | Source |
|---|---|
| Erivedge | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| Vismodegib | Wikipedia |
| 4227 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:12532124 | Reaxys |
| CAS:879085-55-9 | KEGG DRUG |
| CAS:879085-55-9 | ChemIDplus |
| Citations |
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