idelalisib

Ligand id: 6741

Name: idelalisib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 86.8
Molecular weight 415.16
XLogP 4.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA & EMA (2014))
IUPAC Name
5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
International Nonproprietary Names
INN number INN
9624 idelalisib
Synonyms
CAL-101/CAL101 | GS-1101 | Zydelig®
Database Links
CAS Registry No. 870281-82-6 (source: SciFinder)
ChEMBL Ligand CHEMBL2216870
PubChem CID 11625818
RCSB PDB Ligand 40L
Search Google for chemical match using the InChIKey IFSDAJWBUCMOAH-HNNXBMFYSA-N
Search Google for chemicals with the same backbone IFSDAJWBUCMOAH
Search PubMed clinical trials idelalisib
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Search UniChem for chemical match using the InChIKey IFSDAJWBUCMOAH-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone IFSDAJWBUCMOAH
Wikipedia Idelalisib
Comments
Idelalisib is highly selective and potent oral inhibitor of phosphoinositide 3-kinase (PI3K) δ.