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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H13F6N3O3
Molecular Weight 361.2403
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Icenticaftor

SMILES

COC1=C(C=C(N)C(=N1)C(=O)NC[C@](C)(O)C(F)(F)F)C(F)(F)F

InChI

InChIKey=USHQRIKZLHNPQR-JTQLQIEISA-N
InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H13F6N3O3
Molecular Weight 361.2403
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 Sat Dec 16 10:00:59 UTC 2023
Edited
by admin
on Sat Dec 16 10:00:59 UTC 2023
Record UNII
AMB0BO0WFH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Icenticaftor
INN   USAN  
Official Name English
icenticaftor [INN]
Common Name English
3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
Systematic Name English
QBW-251
Code English
2-pyridinecarboxamide, 3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)-
Systematic Name English
QBW251
Code English
ICENTICAFTOR [USAN]
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL3545292
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
INN
11246
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
FDA UNII
AMB0BO0WFH
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
PUBCHEM
58442344
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
CAS
1334546-77-8
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
WIKIPEDIA
Icenticaftor
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
SMS_ID
300000024152
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
NCI_THESAURUS
C174620
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
CAS
1821464-30-5
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
NO STRUCTURE GIVEN
EPA CompTox
DTXSID601336884
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
USAN
KL-158
Created by admin on Sat Dec 16 10:00:59 UTC 2023 , Edited by admin on Sat Dec 16 10:00:59 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
TARGET -> ACTIVATOR
Potentiator
Related Record Type Details
ACTIVE MOIETY