Masilukast
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Masilukast
- DrugBank Accession Number
- DB16227
- Background
Masilukast is under investigation in clinical trial NCT01740986 (Safety and Efficacy of SA09012 in Asthma).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 615.67
Monoisotopic: 615.201476805 - Chemical Formula
- C31H32F3N3O5S
- Synonyms
- Masilukast
- External IDs
- ICI-D3523
- MCC-847
- SA-09012
- SA09012
- ZD-3523
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2QJ3R1H23S
- CAS number
- 136564-68-6
- InChI Key
- ULMFXAMQUGLVGA-LJQANCHMSA-N
- InChI
- InChI=1S/C31H32F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-15,18-19H,13,16-17H2,1-4H3,(H,35,38)(H,36,39)/t19-/m1/s1
- IUPAC Name
- 3-({2-methoxy-4-[(2-methylbenzenesulfonyl)carbamoyl]phenyl}methyl)-1-methyl-N-[(2R)-4,4,4-trifluoro-2-methylbutyl]-1H-indole-5-carboxamide
- SMILES
- COC1=CC(=CC=C1CC1=CN(C)C2=C1C=C(C=C2)C(=O)NC[C@H](C)CC(F)(F)F)C(=O)NS(=O)(=O)C1=CC=CC=C1C
References
- General References
- Not Available
- External Links
- ChemSpider
- 176761
- BindingDB
- 50041349
- ChEMBL
- CHEMBL442263
- ZINC
- ZINC000003925925
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Mild to Moderate Bronchial Asthma 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000814 mg/mL ALOGPS logP 4.48 ALOGPS logP 6.15 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 4.29 Chemaxon pKa (Strongest Basic) -0.74 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 106.5 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 158.78 m3·mol-1 Chemaxon Polarizability 62.23 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:16 / Updated at February 21, 2021 18:55