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]
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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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.