tezacaftor

Ligand id: 10199

Name: tezacaftor

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 113.18
Molecular weight 520.18
XLogP 2.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2018))
IUPAC Name
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-~{N}-[1-[(2~{R})-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide
International Nonproprietary Names
INN number INN
10104 tezacaftor
Synonyms
example 315 [US20090131492A1] | VX-661 | VX661
Comments
Tezacaftor is a small molecule cystic fibrosis transmembrane conductance regulator (CFTR) modulator that was developed by Vertex Pharmaceuticals [1].
Database Links
CAS Registry No. 1152311-62-0 (source: WHO INN record)
ChEMBL Ligand CHEMBL3544914
GtoPdb PubChem SID 381118909
PubChem CID 46199646
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