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)
Immunopharmacology Comments
Selective inhibition of CysLT1 receptor blocks the pro-inflammatory responses associated with allergic disorders that are mediated by this receptor.This pharmacological approach has been used for treating asthma and associated diseases for a considerable period of time.