IDELALISIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H18FN7O
Molecular Weight	415.423
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IDELALISIB

Structure Search

SMILES

CC[C@H](NC1=C2N=CNC2=NC=N1)C3=NC4=C(C(=O)N3C5=CC=CC=C5)C(F)=CC=C4

InChI

InChIKey=IFSDAJWBUCMOAH-HNNXBMFYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C22H18FN7O
Molecular Weight	415.423
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:29:15 UTC 2023` Edited by `admin` on `Sat Dec 16 01:29:15 UTC 2023`
Record UNII	YG57I8T5M0
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IDELALISIB

Official Name

English

CAL-101

Code

English

GS-1101

Code

English

4(3H)-QUINAZOLINONE, 5-FLUORO-3-PHENYL-2-((1S)-1-(1H-PURIN-6-YLAMINO)PROPYL)-

Systematic Name

English

ZYDELIG

Brand Name

English

IDELALISIB [JAN]

Common Name

English

idelalisib [INN]

Common Name

English

IDELALISIB [ORANGE BOOK]

Common Name

English

5-FLUORO-3-PHENYL-2-((S)-1-(9H-PURIN-6-YLAMINO)-PROPYL)-3H-QUINAZOLIN-4-ONE

Systematic Name

English

IDELALISIB [VANDF]

Common Name

English

IDELALISIB [MI]

Common Name

English

4(3H)-QUINAZOLINONE, 5-FLUORO-3-PHENYL-2-((1S)-1-(9H-PURIN-6-YLAMINO)PROPYL)-

Systematic Name

English

Idelalisib [WHO-DD]

Common Name

English

IDELALISIB [USAN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

405913

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

EMA ASSESSMENT REPORTS

ZYDELIG (AUTHORIZED: LYMPHOMA, NON-HODGKIN)

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

FDA ORPHAN DRUG

405813

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

WHO-ATC

L01XX47

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

NDF-RT

N0000175605

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

FDA ORPHAN DRUG

405613

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

FDA ORPHAN DRUG

412613

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

EMA ASSESSMENT REPORTS

ZYDELIG (AUTHORIZED: LEUKEMIA, LYMPHOCYTIC, CHRONIC, B-CELL)

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

FDA ORPHAN DRUG

405713

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

EU-Orphan Drug

EU/3/13/1160

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

FDA ORPHAN DRUG

347511

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

NCI_THESAURUS

C2152

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

FDA ORPHAN DRUG

412513

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

Code System Code Type Description

DRUG BANK

DB09054

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

NDF-RT

N0000175082

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

Kinase Inhibitors [MoA]

SMS_ID

100000151771

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

RXCUI

1544460

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

RxNorm

LACTMED

Idelalisib

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

MERCK INDEX

m11752

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

EVMPD

SUB126168

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

CAS

870281-82-6

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

CHEBI

82701

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

EPA CompTox

DTXSID701007266

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

NDF-RT

N0000190114

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

Cytochrome P450 3A Inhibitors [MoA]

NCI_THESAURUS

C78825

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

WIKIPEDIA

Idelalisib

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

IUPHAR

6741

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

DAILYMED

YG57I8T5M0

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

FDA UNII

YG57I8T5M0

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

DRUG CENTRAL

4878

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

INN

9624

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

ChEMBL

CHEMBL2216870

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

USAN

AB-74

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

PUBCHEM

11625818

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

NCI_THESAURUS

C78825

Created by admin on Sat Dec 16 01:29:15 UTC 2023 , Edited by admin on Sat Dec 16 01:29:15 UTC 2023

PRIMARY

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Amount:


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TRANSPORTER -> SUBSTRATE


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PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

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Amount:


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PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM

TARGET->WEAK INHIBITOR


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ALDEHYDE OXIDASE

METABOLIC ENZYME -> SUBSTRATE

Amount:


					2Z7LDE78YX

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A4

METABOLIC ENZYME -> SUBSTRATE


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> INHIBITOR

Comments:

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Amount:


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MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> INHIBITOR

Comments:

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Amount:


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> INHIBITOR

Comments:

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Amount:


					AIN96D6SGL

OATP1B1

TRANSPORTER -> INHIBITOR

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INHIBITOR

Comments:

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Amount:


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PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM

TARGET -> INHIBITOR

Qualification:

IC50

Amount:

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GS-563117

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA


					8AY8QEH4JW

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METABOLITE -> PARENT


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GS-563117

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					344S277G0Z

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					268B43MJ25

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GS-563117

METABOLITE INACTIVE -> PARENT

Interaction Type:

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Qualification:

PLASMA

Related Record Type Details


					YG57I8T5M0

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
blood-to-plasma ratio	PHARMACOKINETIC		`YG57I8T5M0` IDELALISIB

Volume of Distribution	PHARMACOKINETIC		`YG57I8T5M0` IDELALISIB

Tmax	PHARMACOKINETIC		`YG57I8T5M0` IDELALISIB