Omipalisib

Basic Information

CAS ID: 1086062-66-9
Molecular Formula: C25H17F2N5O3S
Molecular Weight: 505.5 g/mol
Monoisotopic Mass: 505.102 g/mol
Class: Small Molecule
Natural Product: No
Other Names: OMIPALISIB | GSK2126458 | GSK-2126458
Analysis: Drug repositioning mechanism analysis

O N NH S O O F F N N N

Compound Structure and Identifier

InChI: InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3 See All
InChI Key: CGBJSGAELGCMKE-UHFFFAOYSA-N
Smiles: COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0363 Serine/threonine-protein kinase mTOR inhibitor
T0954 Phosphoinositide 3-kinase inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 27103349 Target ID T0954
Uniprot ID Phosphoinositide 3-kinase Name Phosphoinositide 3-kinase
Model vitro,human Fibrosis Disease Idiopathic pulmonary fibrosis
Process I
Process II fibroblasts proliferation
Process III
Mechanism

Reference Record 2

PubMed ID 27103349 Target ID T0363
Uniprot ID Serine/threonine-protein kinase mTOR Name Serine/threonine-protein kinase mTOR
Model vitro,human Fibrosis Disease Idiopathic pulmonary fibrosis
Process I
Process II fibroblasts proliferation
Process III
Mechanism

Reference Record 3

PubMed ID 24392766 Target ID
Uniprot ID Name
Model human Fibrosis Disease Idiopathic pulmonary fibrosis
Process I
Process II fibroblasts proliferation
Process III prevenet collagen deposition
Mechanism

Trial Record 1

ClinicalTrial ID NCT01725139 Disease Idiopathic pulmonary fibrosis
Phase Phase 1 Status Completed
First Received November 12, 2012 Last Verified April 20, 2017
Sponsor GlaxoSmithKline

Related Link

PubChem: 25167777
ChEMBL: CHEMBL1236962