pranlukast   Click here for help

GtoPdb Ligand ID: 3634

Synonyms: ONO RS-411
Approved drug PDB Ligand Immunopharmacology Ligand
pranlukast is an approved drug
Compound class: Synthetic organic
Comment: Pranlukast is a leukotriene receptor antagonist (LTRA), with selectivity for cysteinyl leukotriene receptor 1 (CysLT1 receptor). It is estimated to be 4500-fold selective for CysLT1 over CysLT2 in vitro [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 123
Molecular weight 481.18
XLogP 6.96
No. Lipinski's rules broken 1
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Canonical SMILES O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1
Isomeric SMILES O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1
InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6943 pranlukast
Synonyms Click here for help
ONO RS-411
Database Links Click here for help
Specialist databases
GPCRdb Ligand pranlukast
Reactome Drug Reactome logo R-ALL-9684609
Reactome Reaction Reactome logo R-HSA-9684627
Other databases
CAS Registry No. 103177-37-3
ChEMBL Ligand CHEMBL21333
DrugBank Ligand DB01411
DrugCentral Ligand 2237
GtoPdb PubChem SID 178100541
PubChem CID 4887
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UniChem Compound Search for chemical match using the InChIKey NBQKINXMPLXUET-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey NBQKINXMPLXUET-UHFFFAOYSA-N
Wikipedia Pranlukast

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ONO 1078 (links to external site)
Cat. No. 3026