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Details

Stereochemistry ACHIRAL
Molecular Formula C25H23F3N4O4
Molecular Weight 500.4707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZETELETINIB

SMILES

CC(C)(c1cc(N=C(Cc2ccc(-c3cc4cc(c(cc4nc3)OC)OC)nc2)O)on1)C(F)(F)F

InChI

InChIKey=KOLQINCWMXQEOF-UHFFFAOYSA-N
InChI=1S/C25H23F3N4O4/c1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h5-6,8-13H,7H2,1-4H3,(H,31,33)

HIDE SMILES / InChI

Molecular Formula C25H23F3N4O4
Molecular Weight 500.4707
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:49:46 UTC 2021
Edited
by admin
on Fri Jun 25 20:49:46 UTC 2021
Record UNII
EP0P7SHM0U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZETELETINIB
INN  
Official Name English
ZETELETINIB [INN]
Common Name English
2-(6-(6,7-DIMETHOXYQUINOLIN-3-YL)PYRIDINE-3-YL))-N-(3-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)-1,2-OXAZOL-5-YL)ACETAMIDE
Systematic Name English
RET INHIBITOR DS-5010
Common Name English
3-PYRIDINEACETAMIDE, 6-(6,7-DIMETHOXY-3-QUINOLINYL)-N-(3-(2,2,2-TRIFLUORO-1,1-DIMETHYLETHYL)-5-ISOXAZOLYL)-
Systematic Name English
BOS172738 FREE BASE
Code English
BOS-172738 FREE BASE
Code English
Code System Code Type Description
NCI_THESAURUS
C158093
Created by admin on Fri Jun 25 20:49:46 UTC 2021 , Edited by admin on Fri Jun 25 20:49:46 UTC 2021
PRIMARY
PUBCHEM
134391533
Created by admin on Fri Jun 25 20:49:46 UTC 2021 , Edited by admin on Fri Jun 25 20:49:46 UTC 2021
PRIMARY
CAS
2216753-97-6
Created by admin on Fri Jun 25 20:49:46 UTC 2021 , Edited by admin on Fri Jun 25 20:49:46 UTC 2021
PRIMARY
INN
11523
Created by admin on Fri Jun 25 20:49:46 UTC 2021 , Edited by admin on Fri Jun 25 20:49:46 UTC 2021
PRIMARY INN
FDA UNII
EP0P7SHM0U
Created by admin on Fri Jun 25 20:49:46 UTC 2021 , Edited by admin on Fri Jun 25 20:49:46 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY