Idelalisib
5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
Molecular Identity
Idelalisib
5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
PubChem CID: 11625818
Idelalisib is a member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. It has a role as an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an apoptosis inducer. It is a member of purines, an aromatic amine, an organofluorine compound, a member of quinazolines and a secondary amino compound.
2D Structure
Properties
C22H18FN7O
Molecular Formula
415.40
Molecular Weight
g/mol
415.1557
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
99.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
685
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Idelalisib870281-82-6CAL-101ZydeligGS-1101CAL101GS 1101YG57I8T5M05-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-oneCHEBI:82701DTXSID7010072665-fluoro-3-phenyl-2-[(1S)-1-(3H-purin-6-ylamino)propyl]quinazolin-4(3H)-one5-fluoro-3-phenyl-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-3,4-dihydroquinazolin-4-oneidelalisibum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Idelalisib
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