Vismodegib

Basic Information

CAS ID: 879085-55-9
Molecular Formula: C19H14Cl2N2O3S
Molecular Weight: 421.3 g/mol
Monoisotopic Mass: 420.0102 g/mol
Class: Small Molecule
Natural Product: No
Other Names: VISMODEGIB | ERIVEDGE
Analysis: Drug repositioning mechanism analysis

S O O O NH Cl N Cl

Compound Structure and Identifier

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) See All
InChI Key: BPQMGSKTAYIVFO-UHFFFAOYSA-N
Smiles: CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)c3ccccn3)c(Cl)c1 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0147 Smoothened homolog antagonist

Related Fibrosis Property

Reference Record 1

PubMed ID 28408356 Target ID T0147
Uniprot ID Smoothened homolog Name Smoothened homolog
Model mice Fibrosis Disease Liver fibrosis
Process I attenue inflammation
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 24066108 Target ID T0147
Uniprot ID Smoothened homolog Name Smoothened homolog
Model mice Fibrosis Disease Liver fibrosis
Process I
Process II EMT,cells proliferation
Process III prevenet collagen deposition
Mechanism

Reference Record 3

PubMed ID 22994359 Target ID T0147
Uniprot ID Smoothened homolog Name Smoothened homolog
Model rat Fibrosis Disease Liver fibrosis
Process I
Process II EMT,HSCs activation,cells proliferation,cells apoptosis
Process III prevenet collagen deposition
Mechanism

Trial Record 1

ClinicalTrial ID NCT02648048 Disease Idiopathic pulmonary fibrosis
Phase Phase 1 Status Completed
First Received January 6, 2016 Last Verified October 30, 2017
Sponsor Hoffmann-La Roche

Trial Record 2

ClinicalTrial ID NCT02168530 Disease Idiopathic pulmonary fibrosis
Phase Phase 2 Status Withdrawn
First Received June 20, 2014 Last Verified November 2, 2016
Sponsor Hoffmann-La Roche

Related Link

PubChem: 24776445
ChEMBL: CHEMBL473417