Compound - Results

Montelukast

Java required.


Information Structure
Name Montelukast
Synonyms
(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic Acid
1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic Acid
Montelukast
ATC R03DC03
CID 5281040
CAS 158966928
Drugbank ID DB00471
TTD Drug ID DAP000309
SMILES CC(C)(O)C1=C(CC[C@@H](SC[C@]2(CC2)CC(O)=O)C3=CC(=CC=C3)C=CC4=NC5=CC(Cl)=CC=C5C=C4)C=CC=C1
Formula C35H36ClNO3S
Molweight 586.183
Atoms 44
LogP 8.948
Rotatable Bonds 12
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2C8Inhibitor 16981900
15601807
15608135
15601807
15608135
16670899
Transporter
AC-No.NameReferences
O94956Solute carrier organic anion transporter family member 2B119151602
Q92887Multidrug resistance-associated protein 219952419