iralukast

Ligand id: 5861

Name: iralukast

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 155.66
Molecular weight 710.22
XLogP 9.02
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-[(1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid
International Nonproprietary Names
INN number INN
7130 iralukast
Database Links
CAS Registry No. 151581-24-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1206833
PubChem CID 6913104
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Search UniChem for chemicals with the same backbone IXJCHVMUTFCRBH