compound 17 [PMID: 29741897]

Ligand id: 10005

Name: compound 17 [PMID: 29741897]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 77.84
Molecular weight 545.21
XLogP 3.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Comments
Compound 17 is a novel analogue of the anti-inflammatory inhalation corticosteroid budesonide [1]. It was designed to have improved potency, increased lung retention, and a longer duration of action than budesonide.
Database Links
GtoPdb PubChem SID 374883892
PubChem CID 58392644
Search Google for chemical match using the InChIKey AOSZTAHDEDLTLQ-AZKQZHLXSA-N
Search Google for chemicals with the same backbone AOSZTAHDEDLTLQ
Search UniChem for chemical match using the InChIKey AOSZTAHDEDLTLQ-AZKQZHLXSA-N
Search UniChem for chemicals with the same backbone AOSZTAHDEDLTLQ