Laquinimod sodiumProduct ingredient for Laquinimod
- Name
- Laquinimod sodium
- Drug Entry
- Laquinimod
Laquinimod is an immunomodulator developed by Active Biotech and produced by Teva Pharmaceutical Industries. It is currently under development in phase III trials for treatment of multiple sclerosis as an oral therapy, like fingolimod. It has been shown to reduce disease activity on magnetic resonance imaging and to be well tolerated orally.
- Accession Number
- DBSALT001816
- Structure
- Synonyms
- Laquinimod sodium
- External IDs
- TV-5600
- UNII
- 4H914M0CSP
- CAS Number
- 248282-07-7
- Weight
- Average: 378.79
Monoisotopic: 378.0747144 - Chemical Formula
- C19H16ClN2NaO3
- InChI Key
- JWHPPWBIIQMBQC-UHFFFAOYSA-M
- InChI
- InChI=1S/C19H17ClN2O3.Na/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24;/h4-11,23H,3H2,1-2H3;/q;+1/p-1
- IUPAC Name
- sodium 5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxo-1,2-dihydroquinolin-4-olate
- SMILES
- [Na+].CCN(C(=O)C1=C([O-])C2=C(C=CC=C2Cl)N(C)C1=O)C1=CC=CC=C1
- External Links
- ChemSpider
- 28528059
- ChEMBL
- CHEMBL2103814
- Predicted Properties
Property Value Source Water Solubility 0.0379 mg/mL ALOGPS logP 3.38 ALOGPS logP 2.55 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 5.02 Chemaxon pKa (Strongest Basic) -2.2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 63.68 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 107.86 m3·mol-1 Chemaxon Polarizability 35.55 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon