PAXALISIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H22N8O2
Molecular Weight	382.4197
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)OCCN2C1=NC3=C(N=C(N=C23)C4=CN=C(N)N=C4)N5CCOCC5

InChI

InChIKey=LGWACEZVCMBSKW-UHFFFAOYSA-N

InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)

HIDE SMILES / InChI

Molecular Formula	C18H22N8O2
Molecular Weight	382.4197
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serine/threonine-protein kinase mTOR 31	Inhibitor 7468		0.07 µM [IC50]
PI3-kinase p110-alpha subunit 32	Inhibitor 7468		2.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Oct 21 20:08:07 UTC 2019` Edited by `admin` on `Mon Oct 21 20:08:07 UTC 2019`
Record UNII	P5DKZ70636
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PAXALISIB

Official Name

English

GDC-0084

Preferred Name

English

PAXALISIB [INN]

Common Name

English

2-PYRIMIDINAMINE, 5-(8,9-DIHYDRO-6,6-DIMETHYL-4-(4-MORPHOLINYL)-6H-(1,4)OXAZINO(4,3-E)PURIN-2-YL)-

Systematic Name

English

GDC0084

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

624217

Created by admin on Mon Oct 21 20:08:07 UTC 2019 , Edited by admin on Mon Oct 21 20:08:07 UTC 2019

Code System Code Type Description

CAS

1382979-44-3

Created by admin on Mon Oct 21 20:08:07 UTC 2019 , Edited by admin on Mon Oct 21 20:08:07 UTC 2019

PRIMARY

INN

11102

Created by admin on Mon Oct 21 20:08:07 UTC 2019 , Edited by admin on Mon Oct 21 20:08:07 UTC 2019

PRIMARY

PUBCHEM

57384863

Created by admin on Mon Oct 21 20:08:07 UTC 2019 , Edited by admin on Mon Oct 21 20:08:07 UTC 2019

PRIMARY

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

TARGET -> INHIBITOR

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					P5DKZ70636

PAXALISIB

ACTIVE MOIETY

Name	Property Type	Parameters
BRAIN/PLASMA RATIO	PHARMACOKINETIC	MEASUREMENT PHARMACOKINETIC SPECIES BIOLOGICAL

BRAIN/PLASMA RATIO	PHARMACOKINETIC	SPECIES BIOLOGICAL MEASUREMENT PHARMACOKINETIC