methimazole

Ligand id: 6649

Name: methimazole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 56.62
Molecular weight 114.03
XLogP 0.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1950))
IUPAC Name
1-methyl-3H-imidazole-2-thione
Synonyms
Tapazole® | Thiamazole®
Database Links
BitterDB Ligand 115
CAS Registry No. 60-56-0
ChEMBL Ligand CHEMBL1515
DrugBank Ligand DB00763
PubChem CID 1349907
RCSB PDB Ligand MMZ
Search Google for chemical match using the InChIKey PMRYVIKBURPHAH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PMRYVIKBURPHAH
Search UniChem for chemical match using the InChIKey PMRYVIKBURPHAH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PMRYVIKBURPHAH
Wikipedia Methimazole
Comments
Methimazole is a thioamide antithyroid drug which acts as a thyroperoxidase inhibitor and reduces serum CXCL10 (a chemokine that participates in the self-perpetuation of the inflammatory processes in patients with autoimmune thyroid disease) from thyrocytes [1].