General
Preferred name
Elexacaftor
Synonyms
CFTR corrector 1 ()
VX-445 ()
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-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide ()
Elexacaftor (VX-445) ()
Elexacaftor component of trikafta ()
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)- ()
P&D ID
PD122167
CAS
2216712-66-0
Tags
available
drug
Approved by
FDA
EMA
First approval
2019
Drug Status
approved
investigational
Max Phase
4.0
Drug indication
Cystic fibrosis
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Elexacaftor (VX-445, Compound 1) is a modulator of cystic fibrosis transmembrane conductance regulator (CFTR). Elexacaftor (VX-445, Compound 1) facilitates the processing and trafficking of CFTR to increase the amount of CFTR at the cell surface[1].
PRICE 464
DESCRIPTION Elexacaftor (VX-445) is a next-generation CFTR corrector type agent. Like its predecessor , elexacaftor is designed to improve CFTR protein processing and trafficking in the presence of the F508del mutation. Elexacaftor and tezacaftor CFTR corrector activities have synergistic effects . As such a triple combination therapeutic with tezacaftor, izacaftor (a CFTR potentiator that increases CFTR channel gating activity) and elexacaftor increases CFTR function beyond that achieved by current standard of care with tezacaftor/izacaftor, and improves clinical symptoms in patients with cystic fibrosis with one or two F508del alleles . (GtoPdb)
DESCRIPTION Elexacaftor is a small molecule CFTR corrector used in combination with tezacaftor and ivacaftor for the treatment of cystic fibrosis patients with one F508del-CFTR mutation. (Enamine Bioactive Compounds)
DESCRIPTION Elexacaftor (VX-445) is a cystic fibrosis transmembrane conductance regulator (CFTR) corrector. It promotes the processing and trafficking of CFTR, increases the amount of CFTR on the cell surface, and improves the processing and trafficking of Phe508del CFTR protein. (TargetMol Bioactive Compound Library)
Compound Sets
15
AdooQ Bioactive Compound Library
A20094
Cayman Chemical Bioactives
35307
ChEMBL Approved Drugs
CHEMBL4298128
ChEMBL Drugs
CHEMBL4298128
DrugBank
DB15444
DrugBank Approved Drugs
DB15444
DrugCentral
5372
DrugCentral Approved Drugs
5372
Enamine Bioactive Compounds
EBC-27367
Guide to Pharmacology
10552
MedChem Express Bioactive Compound Library
HY-111772
NCATS Inxight Approved Drugs
RRN67GMB0V
ReFrame library
Selleckchem Bioactive Compound Library
elexacaftor
TargetMol Bioactive Compound Library
T14935
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
597.23
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
3
cLogP
4.02
TPSA
124.24
Fraction CSP3
0.54
Chiral centers
1.0
Largest ring
6.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Autophagy
Membrane Transporter/Ion Channel
Target
CFTR
Source data