Responsive image

Common name


Idelalisib

IUPAC name


5-fluoro-3-phenyl-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-3,4-dihydroquinazolin-4-one

SMILES


[H][C@@](CC)(NC1=NC=NC2=C1N=CN2)C1=NC2=CC=CC(F)=C2C(=O)N1C1=CC=CC=C1

Compound class


Antineoplastic Agents; Immunosuppressive Agents; Enzyme Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors;

Therapeutic area


Idelalisib is indicated in the treatment of chronic lymphocytic leukemia (CLL), relapsed follicular B-cell non-Hodgkin lymphoma (FL), and relapsed small lymphocytic lymphoma (SLL). For the treatment of relapsed CLL, it is currently indicated as a second-line agent in combination with rituximab in patients for whom rituximab alone would be considered appropriate therapy due to other co-morbidities, while in the treatment of FL and SLL it is intended to be used in patients who have received at least two prior systemic therapies.

Common name


Idelalisib

IUPAC name


5-fluoro-3-phenyl-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-3,4-dihydroquinazolin-4-one

SMILES


[H][C@@](CC)(NC1=NC=NC2=C1N=CN2)C1=NC2=CC=CC(F)=C2C(=O)N1C1=CC=CC=C1

INCHI


InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1

FORMULA


C22H18FN7O

Responsive image

Common name


Idelalisib

IUPAC name


5-fluoro-3-phenyl-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-3,4-dihydroquinazolin-4-one

Molecular weight


415.423

clogP


3.482

clogS


-6.779

HBond Acceptor


5

HBond Donor


2

Total Polar
Surface Area


101.38

Number of Rings


5

Rotatable Bond


5

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00025 propan-1-amine Responsive image CCCN 0.0292
FDBF02238 7H-purine Responsive image [nH]1c2cncnc2nc1 0.0010
FDBF04022 5-fluoro-3-phenyl-quinazolin-4-one Responsive image c1(ccccc1)n2c(=O)c3c(cccc3nc2)F 0.0003
FDBF04023 5-fluoro-2-methyl-3H-quinazolin-4-one Responsive image Cc1[nH]c(=O)c2c(cccc2n1)F 0.0003
11 , 2