Dactolisib
2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
Molecular Identity
Dactolisib
2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
PubChem CID: 11977753
Dactolisib is an imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment. It has a role as an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and a mTOR inhibitor. It is a nitrile, a member of quinolines, a ring assembly, an imidazoquinoline and a member of ureas.
2D Structure
Properties
C30H23N5O
Molecular Formula
469.50
Molecular Weight
g/mol
469.1903
Exact Mass
Da
5.2
XLogP
Above Lipinski threshold
73.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
872
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5Isomeric SMILES
SMILES: CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5Synonyms(20)
dactolisib915019-65-7NVP-BEZ235BEZ235NVP-BEZ 235BEZ-2352-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrileBEZ 235NVP-BEZ-235NVPBEZ235NVP BEZ235RTB101RTB-101RUJ6Z9Y0DTNSC-751249
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dactolisib
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