teriflunomide

Ligand id: 6844

Name: teriflunomide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 73.12
Molecular weight 270.06
XLogP 3.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2012), EMA (2013))
Prodrug leflunomide
IUPAC Name
(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
International Nonproprietary Names
INN number INN
7761 teriflunomide
Synonyms
A77 1726 | Aubagio® | flucyamide | HMR-1726
Database Links
CAS Registry No. 108605-62-5
ChEMBL Ligand CHEMBL973
DrugBank Ligand DB08880
PubChem CID 54684141
RCSB PDB Ligand A26
Search Google for chemical match using the InChIKey UTNUDOFZCWSZMS-YFHOEESVSA-N
Search Google for chemicals with the same backbone UTNUDOFZCWSZMS
Search PubMed clinical trials teriflunomide
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Search UniChem for chemical match using the InChIKey UTNUDOFZCWSZMS-YFHOEESVSA-N
Search UniChem for chemicals with the same backbone UTNUDOFZCWSZMS
SynPHARM 78875 (in complex with dihydroorotate dehydrogenase (quinone))
Wikipedia Teriflunomide
Comments
Inhibits dihydroorotate dehydrogenase