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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34F3N7O4S
Molecular Weight 597.655
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELEXACAFTOR

SMILES

C[C@@]1([H])CC(C)(C)N(C1)c2c(ccc(n2)-n3ccc(n3)OCC(C)(C)C(F)(F)F)C(=NS(=O)(=O)c4cn(C)nc4C)O

InChI

InChIKey=MVRHVFSOIWFBTE-INIZCTEOSA-N
InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H34F3N7O4S
Molecular Weight 597.655
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 Jun 26 07:48:30 UTC 2021
Edited
by admin
on Sat Jun 26 07:48:30 UTC 2021
Record UNII
RRN67GMB0V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELEXACAFTOR
USAN   INN  
Official Name English
ELEXACAFTOR [USAN]
Common Name English
ELEXACAFTOR [WHO-DD]
Common Name English
VX-445
Code English
ELEXACAFTOR [INN]
Common Name English
3-PYRIDINECARBOXAMIDE, N-((1,3-DIMETHYL-1H-PYRAZOL-4-YL)SULFONYL)-6-(3-(3,3,3-TRIFLUORO-2,2-DIMETHYLPROPOXY)-1H-PYRAZOL-1-YL)-2-((4S)-2,2,4-TRIMETHYL-1-PYRROLIDINYL)-
Code English
TRIKAFTA COMPONENT ELEXACAFTOR
Brand Name English
ELEXACAFTOR COMPONENT OF TRIKAFTA
Brand Name English
ELEXACAFTOR [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 647618
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
EU-Orphan Drug EU/3/18/2116
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
Code System Code Type Description
DRUG BANK
DB15444
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
PRIMARY
PUBCHEM
134587348
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
PRIMARY
RXCUI
2256951
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
PRIMARY
INN
11180
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
PRIMARY
FDA UNII
RRN67GMB0V
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
PRIMARY
DRUG CENTRAL
5372
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
PRIMARY
CAS
2216712-66-0
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
PRIMARY
LACTMED
Elexacaftor, Tezacaftor and Ivacaftor
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
PRIMARY
NCI_THESAURUS
C169935
Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
modulator
EXCRETED UNCHANGED
The concentrations of unchanged radiolabeled elexacaftor in urine were generally below the limit of quantification, indicating that renal clearance of elexacaftor is negligible in humans.
METABOLIC ENZYME -> SUBSTRATE
BINDER->LIGAND
METABOLIC ENZYME -> SUBSTRATE
MAJOR
TRANSPORTER -> SUBSTRATE
Based on in vitro results
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC