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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H22ClF3N4O2
Molecular Weight 502.916
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cambritaxestat

SMILES

C[C@H](NC(=O)CCC1=NC2=C(N=CC=C2)N1CC3=CC=C(OC(F)(F)F)C=C3)C4=CC=C(Cl)C=C4

InChI

InChIKey=HXYXHSDYBDFOFO-INIZCTEOSA-N
InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H22ClF3N4O2
Molecular Weight 502.916
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:18:39 GMT 2025
Edited
by admin
on Wed Apr 02 21:18:39 GMT 2025
Record UNII
LYY3P2KA27
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CRT0273750
Preferred Name English
Cambritaxestat
INN  
Official Name English
(S)-N-(1-(4-chlorophenyl)ethyl)-3-(3-(4-(trifluoromethoxy)benzyl)-3H-imidazo[4,5-b]pyridin-2-yl)propanamide
Systematic Name English
3H-Imidazo[4,5-b]pyridine-2-propanamide, N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-
Systematic Name English
IOA-289
Code English
cambritaxestat [INN]
Common Name English
N-[(1S)-1-(4-Chlorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-3H-imidazo[4,5-b]pyridine-2-propanamide
Systematic Name English
IOA289
Code English
Code System Code Type Description
CAS
1979939-16-6
Created by admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
PRIMARY
NCI_THESAURUS
C192808
Created by admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
PRIMARY
INN
13154
Created by admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
PRIMARY
PUBCHEM
122199235
Created by admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
PRIMARY
SMS_ID
300000046391
Created by admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
PRIMARY
FDA UNII
LYY3P2KA27
Created by admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
PRIMARY
Related Record Type Details
OFF-TARGET->INHIBITOR
Inhibited the hERG tail current. Based on the high potency of IOA-289 in human plasma and the relatively high plasma protein binding in human of 99%, these activities are not considered to be a significant safety concern.
IC50
BINDER->LIGAND
BINDING
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY