EcoDrugPlus


Synonyms	ABR-215062 ABR-215062 FREE ACID Laquinimod TV-5600 FREE ACID
Status
Molecule Category	Free-form
ATC	N07XX10
UNII	908SY76S4G
EPA CompTox	DTXSID30179536


InChI Key	GKWPCEFFIHSJOE-UHFFFAOYSA-N
Smiles	CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChI	InChI=1S/C19H17ClN2O3/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

Property Name	Value
Molecular Formula	C19H17ClN2O3
Molecular Weight	356.81
AlogP	3.56
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	62.54
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	25.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	16
Mus musculus	-	-	-	-	66-96

Resources	Reference
ChEBI	134738
ChEMBL	CHEMBL66092
DrugBank	DB06685
DrugCentral	4825
FDA SRS	908SY76S4G
Guide to Pharmacology	7639
PubChem	54677946
SureChEMBL	SCHEMBL39440
ZINC	ZINC000100004621

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

LAQUINIMOD

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