methimazole   Click here for help

GtoPdb Ligand ID: 6649

Synonyms: Tapazole® | Thiamazole®
Approved drug PDB Ligand Immunopharmacology Ligand
methimazole is an approved drug (FDA (1950))
Compound class: Synthetic organic
Comment: 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 [2].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 56.62
Molecular weight 114.03
XLogP 0.65
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Cn1ccnc1S
Isomeric SMILES Cn1ccnc1S
InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1950))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
IUPAC Name Click here for help
Synonyms Click here for help
Tapazole® | Thiamazole®
Database Links Click here for help
Specialist databases
GPCRdb Ligand methimazole
Other databases
BitterDB Ligand 115
CAS Registry No. 60-56-0
ChEMBL Ligand CHEMBL1515
DrugBank Ligand DB00763
DrugCentral Ligand 1745
GtoPdb PubChem SID 178103262
PubChem CID 1349907
Search Google for chemical match using the InChIKey PMRYVIKBURPHAH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PMRYVIKBURPHAH
UniChem Compound Search for chemical match using the InChIKey PMRYVIKBURPHAH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PMRYVIKBURPHAH-UHFFFAOYSA-N
Wikipedia Methimazole