General Information of Drug (ID: DM602WT)

Drug Name
Idelalisib
Synonyms
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); YG57I8T5M0; CHEMBL2216870; CHEBI:82701; 5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one; AK145603; Idelalisib; CAL-101; (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; 1146702-54-6; 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE
Indication
Disease Entry ICD 11 Status REF
Chronic lymphocytic leukaemia 2A82.0 Approved [1]
Small lymphocytic lymphoma 2A82.0 Approved [2]
Follicular lymphoma 2A80 Investigative [2]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 415.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
ADMET Property
Clearance
The clearance of drug is 14.9 L/h []
Half-life
The concentration or amount of drug in body reduced by one-half in 8.2 hours [3]
Metabolism
The drug is metabolized via the aldehyde oxidase and CYP3A to its major metabolite GS-563117 []
Vd
The volume of distribution (Vd) of drug is 23 L []
Chemical Identifiers
Formula
C22H18FN7O
IUPAC Name
5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
Canonical SMILES
CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
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
InChIKey
IFSDAJWBUCMOAH-HNNXBMFYSA-N
Cross-matching ID
PubChem CID
11625818
ChEBI ID
CHEBI:82701
CAS Number
870281-82-6
DrugBank ID
DB09054
TTD ID
D0J5VR
VARIDT ID
DR00219
INTEDE ID
DR0854
ACDINA ID
D00322
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
PI3-kinase delta (PIK3CD) TTGBPJE PK3CD_HUMAN Inhibitor [4]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [5]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME
DE4LYSA CP3A4_HUMAN Substrate [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Hypoxia-inducible factor 1-alpha (HIF1A) OTADSC03 HIF1A_HUMAN Gene/Protein Processing [7]
Matrix metalloproteinase-9 (MMP9) OTB2QDAV MMP9_HUMAN Gene/Protein Processing [7]
Phosphoinositide-3-kinase-interacting protein 1 (PIK3IP1) OTWE5G4T P3IP1_HUMAN Gene/Protein Processing [8]
RAC-alpha serine/threonine-protein kinase (AKT1) OT8H2YY7 AKT1_HUMAN Post-Translational Modifications [8]
RNA cytidine acetyltransferase (NAT10) OT6JQO26 NAT10_HUMAN Gene/Protein Processing [9]
Tumor necrosis factor (TNF) OT4IE164 TNFA_HUMAN Protein Interaction/Cellular Processes [10]
Tumor necrosis factor receptor superfamily member 6 (FAS) OTP9XG86 TNR6_HUMAN Protein Interaction/Cellular Processes [10]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Chronic lymphocytic leukaemia
ICD Disease Classification 2A82.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
PI3-kinase delta (PIK3CD) DTT PIK3CD 4.31E-16 -0.37 -0.91
Breast cancer resistance protein (ABCG2) DTP BCRP 1.20E-13 -1.20E+00 -1.06E+00
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 7.29E-03 -3.47E-02 -1.80E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Idelalisib
DDI Drug Name DDI Drug ID Severity Mechanism Disease REF
GDC-0199 DMH0QKA Major Decreased metabolism of Idelalisib caused by GDC-0199 mediated inhibition of CYP450 enzyme. Mature B-cell leukaemia [2A82] [11]
Coadministration of a Drug Treating the Disease Different from Idelalisib (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Remdesivir DMBFZ6L Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Remdesivir. 1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019] [12]
Sarecycline DMLZNIQ Moderate Decreased clearance of Idelalisib due to the transporter inhibition by Sarecycline . Acne vulgaris [ED80] [13]
Ivosidenib DM8S6T7 Major Decreased metabolism of Idelalisib caused by Ivosidenib mediated inhibition of CYP450 enzyme. Acute myeloid leukaemia [2A60] [14]
Tagraxofusp DM9HQ5U Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Tagraxofusp. Acute myeloid leukaemia [2A60] [13]
Arn-509 DMT81LZ Major Accelerated clearance of Idelalisib due to the transporter induction by Arn-509. Acute myeloid leukaemia [2A60] [13]
Gilteritinib DMTI0ZO Major Decreased metabolism of Idelalisib caused by Gilteritinib mediated inhibition of CYP450 enzyme. Acute myeloid leukaemia [2A60] [15]
Oliceridine DM6MDCF Major Decreased metabolism of Idelalisib caused by Oliceridine mediated inhibition of CYP450 enzyme. Acute pain [MG31] [16]
Inotersen DMJ93CT Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Inotersen. Amyloidosis [5D00] [13]
Ivabradine DM0L594 Major Decreased metabolism of Idelalisib caused by Ivabradine mediated inhibition of CYP450 enzyme. Angina pectoris [BA40] [12]
Troleandomycin DMUZNIG Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Troleandomycin. Bacterial infection [1A00-1C4Z] [13]
Ag-221 DMS0ZBI Moderate Decreased clearance of Idelalisib due to the transporter inhibition by Ag-221. BCR-ABL1-negative chronic myeloid leukaemia [2A41] [12]
Pexidartinib DMS2J0Z Major Decreased metabolism of Idelalisib caused by Pexidartinib mediated inhibition of CYP450 enzyme. Bone/articular cartilage neoplasm [2F7B] [17]
HKI-272 DM6QOVN Major Decreased metabolism of Idelalisib caused by HKI-272 mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [18]
LY2835219 DM93VBZ Major Decreased metabolism of Idelalisib caused by LY2835219 mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [19]
Palbociclib DMD7L94 Major Decreased metabolism of Idelalisib caused by Palbociclib mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [20]
Fenofibric acid DMGO2MC Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Fenofibric acid. Cardiovascular disease [BA00-BE2Z] [13]
PF-04449913 DMSB068 Major Decreased metabolism of Idelalisib caused by PF-04449913 mediated inhibition of CYP450 enzyme. Chronic myelomonocytic leukaemia [2A40] [21]
Vilanterol DMF5EK1 Moderate Decreased metabolism of Idelalisib caused by Vilanterol mediated inhibition of CYP450 enzyme. Chronic obstructive pulmonary disease [CA22] [22]
Intedanib DMSTA36 Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Intedanib. Colorectal cancer [2B91] [13]
Osilodrostat DMIJC9X Major Decreased metabolism of Idelalisib caused by Osilodrostat mediated inhibition of CYP450 enzyme. Cushing syndrome [5A70] [23]
MK-8228 DMOB58Q Moderate Decreased metabolism of Idelalisib caused by MK-8228 mediated inhibition of CYP450 enzyme. Cytomegaloviral disease [1D82] [13]
Polatuzumab vedotin DMF6Y0L Major Decreased metabolism of Idelalisib caused by Polatuzumab vedotin mediated inhibition of CYP450 enzyme. Diffuse large B-cell lymphoma [2A81] [24]
Ingrezza DMVPLNC Major Additive CNS depression effects by the combination of Idelalisib and Ingrezza. Dystonic disorder [8A02] [25]
Eslicarbazepine DMZREFQ Moderate Increased metabolism of Idelalisib caused by Eslicarbazepine mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [13]
Cannabidiol DM0659E Minor Decreased metabolism of Idelalisib caused by Cannabidiol mediated inhibition of CYP450 enzyme. Epileptic encephalopathy [8A62] [23]
Bay 80-6946 DMLOS5R Major Decreased clearance of Idelalisib due to the transporter inhibition by Bay 80-6946. Follicular lymphoma [2A80] [26]
Tazemetostat DMWP1BH Major Decreased metabolism of Idelalisib caused by Tazemetostat mediated inhibition of CYP450 enzyme. Follicular lymphoma [2A80] [27]
Ripretinib DM958QB Major Decreased metabolism of Idelalisib caused by Ripretinib mediated inhibition of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [12]
Avapritinib DMK2GZX Major Decreased metabolism of Idelalisib caused by Avapritinib mediated inhibition of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [23]
Daclatasvir DMSFK9V Major Decreased metabolism of Idelalisib caused by Daclatasvir mediated inhibition of CYP450 enzyme. Hepatitis virus infection [1E50-1E51] [23]
177Lu-DOTATATE DMT8GVU Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and 177Lu-DOTATATE. Hepatitis virus infection [1E50-1E51] [13]
GS-9857 DMYU6P5 Moderate Decreased clearance of Idelalisib due to the transporter inhibition by GS-9857. Hepatitis virus infection [1E50-1E51] [28]
MK-1439 DM215WE Minor Decreased metabolism of Idelalisib caused by MK-1439 mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [29]
Fostemsavir DM50ILT Moderate Decreased metabolism of Idelalisib caused by Fostemsavir mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [30]
Cobicistat DM6L4H2 Moderate Decreased clearance of Idelalisib due to the transporter inhibition by Cobicistat. Human immunodeficiency virus disease [1C60-1C62] [13]
Levamlodipine DM92S6N Moderate Decreased metabolism of Idelalisib caused by Levamlodipine mediated inhibition of CYP450 enzyme. Hypertension [BA00-BA04] [31]
Givosiran DM5PFIJ Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Givosiran. Inborn porphyrin/heme metabolism error [5C58] [13]
TP-434 DM5A31S Minor Decreased metabolism of Idelalisib caused by TP-434 mediated inhibition of CYP450 enzyme. Infectious gastroenteritis/colitis [1A40] [32]
Berotralstat DMWA2DZ Moderate Decreased metabolism of Idelalisib caused by Berotralstat mediated inhibition of CYP450 enzyme. Innate/adaptive immunodeficiency [4A00] [13]
Tasimelteon DMLOQ1V Moderate Decreased metabolism of Idelalisib caused by Tasimelteon mediated inhibition of CYP450 enzyme. Insomnia [7A00-7A0Z] [33]
Eluxadoline DMYZ0P1 Moderate Decreased metabolism of Idelalisib caused by Eluxadoline mediated inhibition of CYP450 enzyme. Irritable bowel syndrome [DD91] [34]
Pemigatinib DM819JF Major Decreased metabolism of Idelalisib caused by Pemigatinib mediated inhibition of CYP450 enzyme. Liver cancer [2C12] [23]
Brigatinib DM7W94S Major Decreased metabolism of Idelalisib caused by Brigatinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [35]
Ceritinib DMB920Z Major Decreased metabolism of Idelalisib caused by Ceritinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [12]
Lurbinectedin DMEFRTZ Major Decreased metabolism of Idelalisib caused by Lurbinectedin mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [36]
PF-06463922 DMKM7EW Major Decreased metabolism of Idelalisib caused by PF-06463922 mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [37]
Alectinib DMP1I6Y Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Alectinib. Lung cancer [2C25] [13]
Osimertinib DMRJLAT Major Decreased metabolism of Idelalisib caused by Osimertinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [38]
Pralsetinib DMWU0I2 Major Decreased metabolism of Idelalisib caused by Pralsetinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [39]
Capmatinib DMYCXKL Major Decreased metabolism of Idelalisib caused by Capmatinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [40]
Selpercatinib DMZR15V Major Decreased metabolism of Idelalisib caused by Selpercatinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [23]
Calaspargase pegol DMQZBXI Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Calaspargase pegol. Malignant haematopoietic neoplasm [2B33] [13]
Acalabrutinib DM7GCVW Major Decreased metabolism of Idelalisib caused by Acalabrutinib mediated inhibition of CYP450 enzyme. Mature B-cell lymphoma [2A85] [41]
Arry-162 DM1P6FR Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Arry-162. Melanoma [2C30] [13]
Selumetinib DMC7W6R Major Decreased metabolism of Idelalisib caused by Selumetinib mediated inhibition of CYP450 enzyme. Melanoma [2C30] [42]
LGX818 DMNQXV8 Major Decreased metabolism of Idelalisib caused by LGX818 mediated inhibition of CYP450 enzyme. Melanoma [2C30] [43]
Ubrogepant DM749I3 Major Decreased metabolism of Idelalisib caused by Ubrogepant mediated inhibition of CYP450 enzyme. Migraine [8A80] [44]
Rimegepant DMHOAUG Moderate Decreased metabolism of Idelalisib caused by Rimegepant mediated inhibition of CYP450 enzyme. Migraine [8A80] [45]
Lasmiditan DMXLVDT Moderate Decreased clearance of Idelalisib due to the transporter inhibition by Lasmiditan. Migraine [8A80] [46]
Siponimod DM2R86O Major Decreased metabolism of Idelalisib caused by Siponimod mediated inhibition of CYP450 enzyme. Multiple sclerosis [8A40] [12]
Ocrelizumab DMEZ2KH Moderate Additive immunosuppressive effects by the combination of Idelalisib and Ocrelizumab. Multiple sclerosis [8A40] [47]
Ozanimod DMT6AM2 Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Ozanimod. Multiple sclerosis [8A40] [13]
Deflazacort DMV0RNS Major Decreased metabolism of Idelalisib caused by Deflazacort mediated inhibition of CYP450 enzyme. Muscular dystrophy [8C70] [23]
Fedratinib DM4ZBK6 Major Decreased metabolism of Idelalisib caused by Fedratinib mediated inhibition of CYP450 enzyme. Myeloproliferative neoplasm [2A20] [23]
Entrectinib DMMPTLH Major Decreased metabolism of Idelalisib caused by Entrectinib mediated inhibition of CYP450 enzyme. Non-small cell lung cancer [2C25] [12]
S-297995 DM26IH8 Moderate Decreased metabolism of Idelalisib caused by S-297995 mediated inhibition of CYP450 enzyme. Opioid use disorder [6C43] [23]
Olaparib DM8QB1D Major Decreased metabolism of Idelalisib caused by Olaparib mediated inhibition of CYP450 enzyme. Ovarian cancer [2C73] [12]
Rucaparib DM9PVX8 Moderate Decreased metabolism of Idelalisib caused by Rucaparib mediated inhibition of CYP450 enzyme. Ovarian cancer [2C73] [48]
Istradefylline DM20VSK Major Decreased metabolism of Idelalisib caused by Istradefylline mediated inhibition of CYP450 enzyme. Parkinsonism [8A00] [49]
Abametapir DM2RX0I Moderate Decreased metabolism of Idelalisib caused by Abametapir mediated inhibition of CYP450 enzyme. Pediculosis [1G00] [50]
Lefamulin DME6G97 Major Decreased clearance of Idelalisib due to the transporter inhibition by Lefamulin. Pneumonia [CA40] [51]
Darolutamide DMV7YFT Moderate Decreased clearance of Idelalisib due to the transporter inhibition by Darolutamide. Prostate cancer [2C82] [52]
Upadacitinib DM32B5U Major Decreased metabolism of Idelalisib caused by Upadacitinib mediated inhibition of CYP450 enzyme. Rheumatoid arthritis [FA20] [53]
Sarilumab DMOGNXY Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Sarilumab. Rheumatoid arthritis [FA20] [13]
Anthrax vaccine DM9GSWY Moderate Antagonize the effect of Idelalisib when combined with Anthrax vaccine. Sepsis [1G40-1G41] [54]
Voxelotor DMCS6M5 Major Decreased metabolism of Idelalisib caused by Voxelotor mediated inhibition of CYP450 enzyme. Sickle-cell disorder [3A51] [55]
LDE225 DMM9F25 Major Decreased metabolism of Idelalisib caused by LDE225 mediated inhibition of CYP450 enzyme. Skin cancer [2C30-2C37] [56]
Telotristat ethyl DMDIYFZ Moderate Increased metabolism of Idelalisib caused by Telotristat ethyl mediated induction of CYP450 enzyme. Small intestine developmental anomaly [DA90] [23]
Larotrectinib DM26CQR Major Decreased metabolism of Idelalisib caused by Larotrectinib mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [12]
LEE011 DMMX75K Major Decreased metabolism of Idelalisib caused by LEE011 mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [57]
Fostamatinib DM6AUHV Major Decreased metabolism of Idelalisib caused by Fostamatinib mediated inhibition of CYP450 enzyme. Thrombocytopenia [3B64] [58]
Lusutrombopag DMH6IKO Moderate Decreased clearance of Idelalisib due to the transporter inhibition by Lusutrombopag. Thrombocytopenia [3B64] [48]
As-1670542 DMV05SW Moderate Decreased metabolism of Idelalisib caused by As-1670542 mediated inhibition of CYP450 enzyme. Thrombocytopenia [3B64] [23]
Lenvatinib DMB1IU4 Moderate Increased risk of hepatotoxicity by the combination of Idelalisib and Lenvatinib. Thyroid cancer [2D10] [13]
Elagolix DMB2C0E Major Decreased metabolism of Idelalisib caused by Elagolix mediated inhibition of CYP450 enzyme. Uterine fibroid [2E86] [59]
Fluticasone DMGCSVF Major Decreased metabolism of Idelalisib caused by Fluticasone mediated inhibition of CYP450 enzyme. Vasomotor/allergic rhinitis [CA08] [60]
⏷ Show the Full List of 86 DDI Information of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Sunset yellow FCF E00255 17730 Colorant
Carmellose sodium E00625 Not Available Disintegrant
Eisenoxyd E00585 56841934 Colorant
Magnesium stearate E00208 11177 lubricant
Talc E00520 16211421 Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide E00322 26042 Coating agent; Colorant; Opacifying agent
⏷ Show the Full List of 6 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Idelalisib 100 mg tablet 100 mg Oral Tablet Oral
Idelalisib 150 mg tablet 150 mg Oral Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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2 Idelalisib FDA Label
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10 PI3K/AKT inhibitors aggravate death receptor-mediated hepatocyte apoptosis and liver injury. Toxicol Appl Pharmacol. 2019 Oct 15;381:114729. doi: 10.1016/j.taap.2019.114729. Epub 2019 Aug 22.
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