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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22ClFN6O2
Molecular Weight 432.879
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARSACLISIB

SMILES

CCOC1=C([C@@H]2CNC(=O)C2)C(F)=C(Cl)C=C1[C@H](C)N3N=C(C)C4=C3N=CN=C4N

InChI

InChIKey=ZQPDJCIXJHUERQ-QWRGUYRKSA-N
InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1

HIDE SMILES / InChI
Molecular Formula C20H22ClFN6O2
Molecular Weight 432.879
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:22:25 UTC 2023
Edited
by admin
on Sat Dec 16 09:22:25 UTC 2023
Record UNII
OS7097575K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PARSACLISIB
INN   USAN  
Official Name English
PARSACLISIB [USAN]
Common Name English
INCB-050465
Code English
INCB050465
Code English
parsaclisib [INN]
Common Name English
Parsaclisib [WHO-DD]
Common Name English
2-PYRROLIDINONE, 4-(3-((1S)-1-(4-AMINO-3-METHYL-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)ETHYL)-5-CHLORO-2-ETHOXY-6-FLUOROPHENYL)-, (4R)-
Systematic Name English
(4R)-4-{3-[(1S)-1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl}pyrrolidin-2-one
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 707319
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
FDA ORPHAN DRUG 758420
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
FDA ORPHAN DRUG 703919
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
FDA ORPHAN DRUG 688519
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
FDA ORPHAN DRUG 707419
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
FDA ORPHAN DRUG 932023
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
FDA ORPHAN DRUG 688319
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
Code System Code Type Description
INN
10589
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
PRIMARY
FDA UNII
OS7097575K
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
PRIMARY
NCI_THESAURUS
C113434
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
PRIMARY
CAS
1426698-88-5
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
PRIMARY
SMS_ID
100000177914
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
PRIMARY
USAN
FG-213
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
PRIMARY
DRUG BANK
DB14867
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
PRIMARY
PUBCHEM
86677874
Created by admin on Sat Dec 16 09:22:26 UTC 2023 , Edited by admin on Sat Dec 16 09:22:26 UTC 2023
PRIMARY
Related Record Type Details
PL3 KINASE (P110.ALPHA./P85.ALPHA.)
OFF TARGET->NON-INHIBITOR
IC50
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM
OFF TARGET->NON-INHIBITOR
IC50
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
TARGET -> INHIBITOR
Structure of PARSACLISIB HYDROCHLORIDE
SALT/SOLVATE -> PARENT
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT BETA ISOFORM
OFF TARGET->NON-INHIBITOR
IC50
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
OFF TARGET->NON-INHIBITOR
IC50
Related Record Type Details
Structure of PARSACLISIB
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