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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H17F4N5O2
Molecular Weight 495.4284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUXEPTINIB

SMILES

CC1=CNC(=N1)C2=C3C(=O)NCC3=C(C=C2)C4=C(F)C=C(NC(=O)NC5=C(F)C=C(F)C=C5F)C=C4

InChI

InChIKey=MWHHJYUHCZWSLS-UHFFFAOYSA-N
InChI=1S/C25H17F4N5O2/c1-11-9-30-23(32-11)16-5-4-14(17-10-31-24(35)21(16)17)15-3-2-13(8-18(15)27)33-25(36)34-22-19(28)6-12(26)7-20(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)

HIDE SMILES / InChI

Molecular Formula C25H17F4N5O2
Molecular Weight 495.4284
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 Sat Dec 16 14:28:54 GMT 2023
Edited
by admin
on Sat Dec 16 14:28:54 GMT 2023
Record UNII
TQ6PBX1JU0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUXEPTINIB
USAN   INN  
Official Name English
CG-806
Code English
LUXEPTINIB [USAN]
Common Name English
CG-026806
Code English
luxeptinib [INN]
Common Name English
CG'806
Code English
CG806
Code English
CG026806
Code English
32,72,74,76-TETRAFLUORO-14-METHYL-21,23-DIHYDRO-11H-4,6-DIAZA-2(4,7)-ISOINDOLA- 1(2)-IMIDAZOLA-3(1,4),7(1)-DIBENZENAHEPTAPHANE-2,35-DIONE
Systematic Name English
UREA, N-(4-(2,3-DIHYDRO-7-(5-METHYL-1H-IMIDAZOL-2-YL)-1-OXO-1H-ISOINDOL-4-YL)-3-FLUOROPHENYL)-N'-(2,4,6-TRIFLUOROPHENYL)-
Systematic Name English
Luxeptinib [WHO-DD]
Common Name English
Code System Code Type Description
USAN
HI-96
Created by admin on Sat Dec 16 14:28:54 GMT 2023 , Edited by admin on Sat Dec 16 14:28:54 GMT 2023
PRIMARY
INN
11799
Created by admin on Sat Dec 16 14:28:54 GMT 2023 , Edited by admin on Sat Dec 16 14:28:54 GMT 2023
PRIMARY
FDA UNII
TQ6PBX1JU0
Created by admin on Sat Dec 16 14:28:54 GMT 2023 , Edited by admin on Sat Dec 16 14:28:54 GMT 2023
PRIMARY
PUBCHEM
118480924
Created by admin on Sat Dec 16 14:28:54 GMT 2023 , Edited by admin on Sat Dec 16 14:28:54 GMT 2023
PRIMARY
CAS
1616428-23-9
Created by admin on Sat Dec 16 14:28:54 GMT 2023 , Edited by admin on Sat Dec 16 14:28:54 GMT 2023
PRIMARY
SMS_ID
300000035120
Created by admin on Sat Dec 16 14:28:54 GMT 2023 , Edited by admin on Sat Dec 16 14:28:54 GMT 2023
PRIMARY
NCI_THESAURUS
C162573
Created by admin on Sat Dec 16 14:28:54 GMT 2023 , Edited by admin on Sat Dec 16 14:28:54 GMT 2023
PRIMARY
Related Record Type Details
OFF-TARGET->INHIBITOR
IC50
TARGET -> INHIBITOR
ALSO ACTIVE AGAINST FLT3-ITD mutants
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY