MONTELUKAST Next Previous

ChEMBL ID CHEMBL787
PubChem CID 5281040
DrugBank Accession Number DB00471
ClinicalTrials MONTELUKAST
Molecular Formula C35H36ClNO3S
Inchikey UCHDWCPVSPXUMX-TZIWLTJVSA-N

Smiles
CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3

Synonyms
MK-476, Singulair, Montelukast, Montelo-10

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 2
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 586.18
Rotatable Bonds 12
Acidic pKa (ACD) -
Basic pKa (ACD) 7.74
LogP (ACD) 5.74
LogD (ACD) 5.24
ALogP 8.28
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