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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H24F3N7O3S
Molecular Weight 571.574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TELAGLENASTAT

SMILES

FC(F)(F)OC1=CC(CC(=O)NC2=NN=C(CCCCC3=NN=C(NC(=O)CC4=NC=CC=C4)S3)C=C2)=CC=C1

InChI

InChIKey=PRAAPINBUWJLGA-UHFFFAOYSA-N
InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)

HIDE SMILES / InChI

Molecular Formula C26H24F3N7O3S
Molecular Weight 571.574
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
180.0 nM [IC50]
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:06:00 GMT 2023
Edited
by admin
on Sat Dec 16 09:06:00 GMT 2023
Record UNII
U6CL98GLP4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TELAGLENASTAT
INN   USAN  
Official Name English
N-[6-(4-{5-[2-(Pyridin-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}butyl)pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
Systematic Name English
telaglenastat [INN]
Common Name English
TELAGLENASTAT [USAN]
Common Name English
CB-839
Code English
Telaglenastat [WHO-DD]
Common Name English
2-PYRIDINEACETAMIDE, N-(5-(4-(6-((2-(3-(TRIFLUOROMETHOXY)PHENYL)ACETYL)AMINO)-3-PYRIDAZINYL)BUTYL)-1,3,4-THIADIAZOL-2-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71577426
Created by admin on Sat Dec 16 09:06:00 GMT 2023 , Edited by admin on Sat Dec 16 09:06:00 GMT 2023
PRIMARY
CAS
1439399-58-2
Created by admin on Sat Dec 16 09:06:00 GMT 2023 , Edited by admin on Sat Dec 16 09:06:00 GMT 2023
PRIMARY
FDA UNII
U6CL98GLP4
Created by admin on Sat Dec 16 09:06:00 GMT 2023 , Edited by admin on Sat Dec 16 09:06:00 GMT 2023
PRIMARY
DRUG BANK
DB15232
Created by admin on Sat Dec 16 09:06:00 GMT 2023 , Edited by admin on Sat Dec 16 09:06:00 GMT 2023
PRIMARY
NCI_THESAURUS
C114381
Created by admin on Sat Dec 16 09:06:00 GMT 2023 , Edited by admin on Sat Dec 16 09:06:00 GMT 2023
PRIMARY
EVMPD
SUB193630
Created by admin on Sat Dec 16 09:06:00 GMT 2023 , Edited by admin on Sat Dec 16 09:06:00 GMT 2023
PRIMARY
INN
10815
Created by admin on Sat Dec 16 09:06:00 GMT 2023 , Edited by admin on Sat Dec 16 09:06:00 GMT 2023
PRIMARY
USAN
GH-190
Created by admin on Sat Dec 16 09:06:00 GMT 2023 , Edited by admin on Sat Dec 16 09:06:00 GMT 2023
PRIMARY
SMS_ID
100000178107
Created by admin on Sat Dec 16 09:06:00 GMT 2023 , Edited by admin on Sat Dec 16 09:06:00 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
CB-839 exhibited time dependent and slowly reversible kinetics.
ALLOSTERIC INHIBITOR
IC50
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY