GS-563117

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H18FN7O2
Molecular Weight	431.4224
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](NC1=NC=NC2=C1NC(=O)N2)C3=NC4=C(C(=O)N3C5=CC=CC=C5)C(F)=CC=C4

InChI

InChIKey=PEYAOBRJGKFVDV-AWEZNQCLSA-N

InChI=1S/C22H18FN7O2/c1-2-14(26-18-17-19(25-11-24-18)29-22(32)28-17)20-27-15-10-6-9-13(23)16(15)21(31)30(20)12-7-4-3-5-8-12/h3-11,14H,2H2,1H3,(H3,24,25,26,28,29,32)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H18FN7O2
Molecular Weight	431.4224
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 `Mon Mar 31 21:58:08 GMT 2025` Edited by `admin` on `Mon Mar 31 21:58:08 GMT 2025`
Record UNII	W99Y3YHO0I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IDELALISIB METABOLITE M30A

Preferred Name

English

GS-563117

Common Name

English

(S)-5-FLUORO-2-(1-((8-OXO-8,9-DIHYDRO-7H-PURIN-6-YL)AMINO)PROPYL)-3-PHENYLQUINAZOLIN-4(3H)-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

W99Y3YHO0I

Created by admin on Mon Mar 31 21:58:08 GMT 2025 , Edited by admin on Mon Mar 31 21:58:08 GMT 2025

PRIMARY

PUBCHEM

121490153

Created by admin on Mon Mar 31 21:58:08 GMT 2025 , Edited by admin on Mon Mar 31 21:58:08 GMT 2025

PRIMARY

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IDELALISIB

PARENT -> METABOLITE INACTIVE

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC