ELEXACAFTOR

Search structure
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: RRN67GMB0V

Structure
InChI Key MVRHVFSOIWFBTE-INIZCTEOSA-N
Smile Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1C[C@@H](C)CC1(C)C
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H34F3N7O4S
Molecular Weight 597.66
AlogP 4.02
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 124.24
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR Cystic fibrosis transmembrane conductance regulator positive modulator FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cystic Fibrosis 3 D003550 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4298128
DrugBank DB15444
DrugCentral 5372
FDA SRS RRN67GMB0V
Guide to Pharmacology 10552
PubChem 134587348
SureChEMBL SCHEMBL20239811
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