Ligand Id: 3327
Ligand name sulukast

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 137.29
Molecular weight 472.25
XLogP 8.23
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
3-{[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanyl}propanoic acid
International Nonproprietary Names
INN number INN
6590 sulukast
Database Links
CAS Registry No. 98116-53-1 (source: Scifinder)
ChEMBL Ligand CHEMBL278570
Search on ChemSpider YPHOSUPSOWQQCB-AFOLHBCXSA-N
ZINC ZINC08214682

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org