Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00322)
Name
Idelalisib
Synonyms    Click to Show/Hide the Synonyms of This API
Idelalisib; 870281-82-6; CAL-101; Zydelig; GS-1101; CAL101; CAL 101; (S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; UNII-YG57I8T5M0; CAL-101 (Idelalisib, GS-1101); 1146702-54-6; Idelalisib (CAL-101); GS 1101; (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; YG57I8T5M0; CHEMBL2216870; CHEBI:82701; 5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one; Idelalisib; CAL-101; 4(3H)-Quinazolinone,5-fluoro-3-phenyl-2-[(1S)-1-(1H-purin-6-ylamino)propyl]-; 5-fluoro-3-phenyl-2-((1s)-1-(9h-purin-6-ylamino)propyl)-4(3h)-quinazolinone; 5-fluoro-3-phenyl-2-[(1S)-1-(3H-purin-6-ylamino)propyl]quinazolin-4(3H)-one; 5-Fluoro-3-Phenyl-2-[(1s)-1-(7h-Purin-6-Ylamino)propyl]quinazolin-4(3h)-One; 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE; Idelalisib [USAN:INN]; Idealisib; Zydelig (TN); Tube701; MLS006010985; Idelalisib (JAN/USAN/INN); SCHEMBL356400; C22H18FN7O; GTPL6741; QCR-36; SCHEMBL16782604; HSDB 8408; CAL-101/CAL101; EX-A330; GS-11CAL-101; BCPP000307; DTXSID701007266; AOB87313; BCP02532; EX-A1242; ABP000109; BDBM50403068; MFCD19443647; NSC759224; NSC762828; NSC800771; ZINC13986658; AKOS022186334; Idelalisib (CAL-101,GS-1101); BCP9000471; CCG-264949; CS-0256; DB09054; LS41100; NSC-759224; NSC-762828; NSC-800771; PB25727; CAL-101 (GS-1101); NCGC00262603-01; NCGC00262603-02; NCGC00262603-04; AC-28394; HY-13026; IC489666; SMR004702787; SW219823-1; A-1138; D10560; Q-4533; J-517532; Q5908266; BRD-K60866521-001-01-4; 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one; (S)-2-(1-(1H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; (S)-5-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)-propyl]-3H-quinazolin-4-one; 5-Fluoro-3-phenyl-2-{1-[(9H-purin-6-yl)amino]propyl}quinazolin-4(3H)-one; 1453810-72-4
Clinical Status
Approved
Disease Indication Chronic lymphocytic leukaemia ICD-11: 2A82 [1]
PubChem CID
11625818
Formula
C22H18FN7O
Canonical SMILES
CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
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
InChIKey
IFSDAJWBUCMOAH-HNNXBMFYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=11625818"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 415.4 Topological Polar Surface Area 99.2
XlogP 3.7 Complexity 685
Heavy Atom Count 31 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Full List of Drug Formulations (DFMs) Containing This API
          Idelalisib 100 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Fd&c yellow no. 6; Magnesium stearate; Talc; Titanium dioxide; Croscarmellose sodium; Aluminum oxide; Hydroxypropyl cellulose (1200000 mw); Microcrystalline cellulose; Polyethylene glycol, unspecified; Polyvinyl alcohol, unspecified; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Gilead Sciences
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sunset yellow FCF DIG Info Solute carrier SLCO2B1 (Ki = 68.4 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
          Idelalisib 150 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Magnesium stearate; Ferric oxide red; Talc; Titanium dioxide; Croscarmellose sodium; Hydroxypropyl cellulose (1200000 mw); Microcrystalline cellulose; Polyethylene glycol, unspecified; Polyvinyl alcohol, unspecified; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Gilead Sciences
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
References
1 FDA label for approved idelalisib from the official website of the U.S. Food and Drug Administration.
2 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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