INAVOLISIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H19F2N5O4
Molecular Weight	407.3714
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](NC1=CC=C2C3=NC(=CN3CCOC2=C1)N4[C@@H](COC4=O)C(F)F)C(N)=O

InChI

InChIKey=SGEUNORSOZVTOL-CABZTGNLSA-N

InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H19F2N5O4
Molecular Weight	407.3714
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
PI3-kinase p110-alpha subunit 41 Target ID: CHEMBL4005 Sources: http://cancerres.aacrjournals.org/content/77/13_Supplement/156	Inhibitor 8297		0.038 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:21:43 UTC 2023` Edited by `admin` on `Sat Dec 16 14:21:43 UTC 2023`
Record UNII	L4C1UY2NYH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INAVOLISIB

Official Name

English

RG6114

Code

English

Inavolisib [WHO-DD]

Common Name

English

RO7113755

Code

English

RO-7113755

Code

English

GDC-0077

Code

English

inavolisib [INN]

Common Name

English

INAVOLISIB [USAN]

Common Name

English

PROPANAMIDE, 2-((2-((4S)-4-(DIFLUOROMETHYL)-2-OXO-3-OXAZOLIDINYL)-5,6-DIHYDROIMIDAZO(1,2-D)(1,4)BENZOXAZEPIN-9-YL)AMINO)-, (2S)-

Systematic Name

English

RG-6114

Code

English

(2S)-2-((2-((4S)-4-(DIFLUOROMETHYL)-2-OXO-3-OXAZOLIDINYL)-5,6-DIHYDROIMIDAZO(1,2-D)(1,4)BENZOXAZEPIN-9-YL)AMINO)PROPANAMIDE

Systematic Name

English

GDC0077

Code

English

Code System Code Type Description

USAN

HI-206