POSENACAFTOR

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: BN5UT8I0T9

Structure
InChI Key QUDOHCFOJCNKPK-QGZVFWFLSA-N
Smile Cc1c(-c2cc(C(=O)O)c3c(O[C@H](C)C4CCOCC4)ccc(C)c3n2)oc2ccccc12
InChI
InChI=1S/C27H27NO5/c1-15-8-9-23(32-17(3)18-10-12-31-13-11-18)24-20(27(29)30)14-21(28-25(15)24)26-16(2)19-6-4-5-7-22(19)33-26/h4-9,14,17-18H,10-13H2,1-3H3,(H,29,30)/t17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H27NO5
Molecular Weight 445.52
AlogP 6.16
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 81.79
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cystic Fibrosis 1 D003550 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594274
FDA SRS BN5UT8I0T9
SureChEMBL SCHEMBL18736773
CONTENTS