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Details

Stereochemistry ACHIRAL
Molecular Formula C20H27N7O3S
Molecular Weight 445.538
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CERDULATINIB

SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC=C(NC3=NC=C(C(N)=O)C(NC4CC4)=N3)C=C2

InChI

InChIKey=BGLPECHZZQDNCD-UHFFFAOYSA-N
InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)

HIDE SMILES / InChI
Molecular Formula C20H27N7O3S
Molecular Weight 445.538
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:35:25 UTC 2023
Edited
by admin
on Sat Dec 16 01:35:25 UTC 2023
Record UNII
D1LXQ45S1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CERDULATINIB
INN   WHO-DD  
INN  
Official Name English
5-PYRIMIDINECARBOXAMIDE, 4-(CYCLOPROPYLAMINO)-2-((4-(4-(ETHYLSULFONYL)-1-PIPERAZINYL)PHENYL)AMINO)-
Systematic Name English
PRT-062070
Code English
RVT-502
Code English
cerdulatinib [INN]
Common Name English
4-(CYCLOPROPYLAMINO)-2-((4-(4-(ETHANESULFONYL)PIPERAZIN-1-YL)PHENYL)AMINO)PYRIMIDINE-5-CARBOXAMIDE
Systematic Name English
Cerdulatinib [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 651118
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
Code System Code Type Description
INN
9987
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
PUBCHEM
44595079
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
FDA UNII
D1LXQ45S1O
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
DRUG BANK
DB15499
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
CAS
1198300-79-6
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID001115521
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
WIKIPEDIA
Cerdulatinib
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
SMS_ID
300000014440
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545284
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
NCI_THESAURUS
C113173
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
Related Record Type Details
NUAK FAMILY SNF1-LIKE KINASE 1
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TYROSINE-PROTEIN KINASE JAK2
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TYROSINE-PROTEIN KINASE JAK3
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5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT .ALPHA.-2
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Structure of CERDULATINIB HYDROCHLORIDE
SALT/SOLVATE -> PARENT
SERINE/THREONINE-PROTEIN KINASE 4
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TYROSINE-PROTEIN KINASE SYK
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NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2
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SERINE/THREONINE-PROTEIN KINASE MARK1
TARGET -> INHIBITOR
IC50
TYROSINE-PROTEIN KINASE JAK1
TARGET -> INHIBITOR
IC50
SERINE/THREONINE-PROTEIN KINASE 3
TARGET -> INHIBITOR
IC50
Related Record Type Details
Structure of CERDULATINIB
ACTIVE MOIETY
NIH
NCATS
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