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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N8O2
Molecular Weight 382.4204
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAXALISIB

SMILES

CC1(C)c2nc3c(nc(-c4c[nH]c(=N)nc4)nc3n2CCO1)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 382.4204
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.0 nM [IC50]
0.07 µM [IC50]
Substance Class Chemical
Created
by admin
on Sat Jun 26 09:00:45 UTC 2021
Edited
by admin
on Sat Jun 26 09:00:45 UTC 2021
Record UNII
P5DKZ70636
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAXALISIB
INN   USAN  
Official Name English
GDC-0084
Preferred Name English
5-(6,6-DIMETHYL-4-MORPHOLINO-8,9-DIHYDRO-6H-(1,4)OXAZINO(3,4-E)PURIN-2-YL)PYRIMIDIN-2-AMINE
Systematic Name English
PAXALISIB [USAN]
Common Name English
G-02441729
Code English
PAXALISIB [INN]
Common Name English
G02441729
Code 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 759220
Created by admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
FDA ORPHAN DRUG 624217
Created by admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
Code System Code Type Description
NCI_THESAURUS
C116877
Created by admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
PRIMARY
FDA UNII
P5DKZ70636
Created by admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
PRIMARY
CAS
1382979-44-3
Created by admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
PRIMARY
INN
11102
Created by admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
PRIMARY
DRUG BANK
DB15186
Created by admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
PRIMARY
PUBCHEM
57384863
Created by admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
BRAIN/PLASMA RATIO PHARMACOKINETIC MEASUREMENT
PHARMACOKINETIC
SPECIES
BIOLOGICAL
BRAIN/PLASMA RATIO PHARMACOKINETIC SPECIES
BIOLOGICAL
MEASUREMENT
PHARMACOKINETIC