Details of the Drug

General Information of Drug (ID: DMMA0C7)

Drug Name
Laquinamod
Synonyms
Laquinimod sodium; Laquinimod Sodium Salt; 248282-07-7; UNII-4H914M0CSP; Laquinimod sodium [USAN]; TV-5600; 4H914M0CSP; ABR-215062 SODIUM; Laquinimod sodium (USAN); sodium 5-chloro-3-(ethyl(phenyl)carbamoyl)-1-methyl-2-oxo-1,2-dihydroquinolin-4-olate; SAIK-MS compound; ABR 215062 Sodium; SCHEMBL1991182; CHEMBL2103814; DTXSID50179538; QCR-166; JWHPPWBIIQMBQC-UHFFFAOYSA-M; AKOS027326368; TV 5600; FT-0670730; D08938; Sodium 5-chloro-3-(ethylphenylcarbamoyl)-1-methyl-2-oxo-1,2-dihydroquinolin- 4-olate; 3-Quinolinecarboxamide, 5-chlo
Indication
Disease Entry ICD 11 Status REF
Multiple sclerosis 8A40 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 378.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C19H16ClN2NaO3
IUPAC Name
sodium;5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-olate
Canonical SMILES
CCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)[O-].[Na+]
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
InChIKey
JWHPPWBIIQMBQC-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
23697158
CAS Number
248282-07-7
TTD ID
D09INF
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
C-X-C motif chemokine 2 (CXCL2) TTZF0K2 CXCL2_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Multiple sclerosis: current and future treatment options. Endocr Metab Immune Disord Drug Targets. 2007 Dec;7(4):292-9.