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 [1].
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES Cn1ccnc1S
Isomeric SMILES Cn1ccnc1S
InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
InChI Key PMRYVIKBURPHAH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1950))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
1-methyl-3H-imidazole-2-thione
Synonyms Click here for help
Tapazole® | Thiamazole®
Database Links Click here for help
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
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