U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H26N8
Molecular Weight 402.4963
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Stereo Comments meso

SHOW SMILES / InChI
Structure of IZENCITINIB

SMILES

Cc1cc(N=c2cc3c(cccn3)c(N[C@@]4([H])C[C@]5([H])CC[C@]([H])(C4)N5CCC#N)[nH]2)n[nH]1

InChI

InChIKey=DADAEARVGOQWHV-OSYLJGHBSA-N
InChI=1S/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15-,16-,17+

HIDE SMILES / InChI

Molecular Formula C22H26N8
Molecular Weight 402.4963
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:31:11 UTC 2021
Edited
by admin
on Sat Jun 26 14:31:11 UTC 2021
Record UNII
2ZT81PV5UM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IZENCITINIB
USAN   INN  
Official Name English
3-((1R,3S,5S)-3-((7-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-1,6-NAPHTHYRIDIN-5-YL)AMINO)-8-AZABICYCLO(3.2.1)OCTAN-8-YL)PROPANENITRILE
Systematic Name English
8-AZABICYCLO(3.2.1)OCTANE-8-PROPANENITRILE, 3-((7-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-1,6-NAPHTHYRIDIN-5-YL)AMINO)-, (3-EXO)-
Systematic Name English
TD1473
Code English
IZENCITINIB [USAN]
Common Name English
TD-1473
Code English
IZENCITINIB [INN]
Common Name English
Code System Code Type Description
FDA UNII
2ZT81PV5UM
Created by admin on Sat Jun 26 14:31:12 UTC 2021 , Edited by admin on Sat Jun 26 14:31:12 UTC 2021
PRIMARY
NCI_THESAURUS
C175805
Created by admin on Sat Jun 26 14:31:12 UTC 2021 , Edited by admin on Sat Jun 26 14:31:12 UTC 2021
PRIMARY
PUBCHEM
124090478
Created by admin on Sat Jun 26 14:31:12 UTC 2021 , Edited by admin on Sat Jun 26 14:31:12 UTC 2021
PRIMARY
INN
11132
Created by admin on Sat Jun 26 14:31:12 UTC 2021 , Edited by admin on Sat Jun 26 14:31:12 UTC 2021
PRIMARY
CAS
2051918-33-1
Created by admin on Sat Jun 26 14:31:12 UTC 2021 , Edited by admin on Sat Jun 26 14:31:12 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY