pobilukast

Ligand id: 3334

Name: pobilukast

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 120.13
Molecular weight 458.21
XLogP 10.06
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3R)-3-[(2-carboxyethyl)sulfanyl]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid
International Nonproprietary Names
INN number INN
7179 pobilukast
Synonyms
SKF 104353
Database Links
CAS Registry No. 107023-41-6 (source: Scifinder)
ChEMBL Ligand CHEMBL22776
PubChem CID 60842
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Search UniChem for chemical match using the InChIKey PZIFPMYXXCAOCC-JWQCQUIFSA-N
Search UniChem for chemicals with the same backbone PZIFPMYXXCAOCC