General
Preferred name
verlukast
Synonyms
MK-679 ()
L 668019 ()
L-668,019 ()
MK-0679 ()
L-668019 ()
P&D ID
PD051395
CAS
120443-16-5
Tags
available
drug candidate
Drug indication
Anti-Asthmatic (leukotriene antagonist)
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Verlukast is a potent CysLT1 (LTD4) receptor inverse agonist; also MRP1 inhibitor.
DESCRIPTION
Verlukast (MK-679) is a potent CysLT1 (LTD4) receptor inverse agonist; also MRP1 inhibitor. It is the (R)-enantiomer of . Be aware of the confusion caused by incorrectly using MK-571 as a synonym for verlukast that has arisen in online resources.
(GtoPdb)
DESCRIPTION
This active molecular is a R-enantiomer of MK-571 which is a selective LTD4 receptor antagonist. Verlukast showed [3H]leukotriene D4 binding in guinea-pig with IC50 value of 3.1+/-0.5nM, in human lung homogenates with IC50 value of 8.0+/-3.0nM and in dimethyl sulfoxide differentiated U937 cell membrane preparations with IC50 value of 10.7+/-1.6nM. Verlukast was in clinical development for the treatment of respiratory diseases but was discontinued for treatment of Asthma.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
BOC Sciences Bioactive Compounds
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Guide to Pharmacology
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Molecular Weight
514.12
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
11
Ring Count
3
Aromatic Ring Count
3
cLogP
6.48
TPSA
70.5
Fraction CSP3
0.27
Chiral centers
1.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Target
Leukotriene Receptor
Solubility
DMSO, Methanol
Source data
