InChIKey	BPQMGSKTAYIVFO-UHFFFAOYSA-N
Compound Name	Vismodegib
Canonical SMILES	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Cross-Family
Avg pChEMBL	7.8
Source	ChEMBL;BindingDB

DrugBank ID	DB08828
Drug Name	Vismodegib
CAS Number	879085-55-9
Groups	approved investigational
ATC Codes	L01XJ01
Description	Vismodegib is an orally active small molecule that inhibits the hedgehog signaling pathway by binding to and inhibiting the transmembrane protein smoothened homologue (SMO).[A258613,A258618,L45803] It was discovered by high-throughput screening of a library of small-molecule compounds and subsequent...

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Categories: Amides Amines Aniline Compounds Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Hedgehog Pathway Inhibitor Hedgehog pathway inhibitors P-glycoprotein substrates Smoothened Receptor Antagonists

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Cross-references: BindingDB: 50249522 ChEBI: 66903 CHEMBL473417 ChemSpider: 23337846 Drugs Product Database (DPD): 22125 D09992 PDB: VIS PharmGKB: PA166048558 PubChem:24776445 PubChem:175427109 RxCUI: 1242987 Wikipedia: Vismodegib ZINC: ZINC000040899447