Basic Information
ID DDInter612
Drug Type small molecule
Molecular Formula C22H17ClN6O
Molecular Weight 416.870
CAS Number 1201438-56-3
Description Duvelisib, also known as IPI-145 and INK-1197, is a small-molecule inhibitor of phosphoinositide-3 kinases that was designed initially to prove that simultaneous inhibition of the isoforms delta and gamma can produce a broad adaptative and innate immune cell inhibitory activity. All the work around duvelisib showed that this agent is a potent inhibitor of both forms.[A39025] Duvelisib was developed by Verastem, Inc and FDA approved on September 24, 2018.[L4585]
ATC Classification L01EM04
IUPAC Name 8-chloro-2-phenyl-3-[(1S)-1-[(9H-purin-6-yl)amino]ethyl]-1,2-dihydroisoquinolin-1-one
InChI SJVQHLPISAIATJ-ZDUSSCGKSA-N
Canonical SMILES C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1
Useful Links DrugBank ChEBI PubChem Substance KEGG Drug ChemSpider BindingDB Wikipedia ChEMBL ZINC
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