e-Drug3D

88

METHIMAZOLE


INN
METHIMAZOLE

cas 60-56-0
CLASS

HORMONES
TREATMENT OF HYPERTHYROIDISM
INHIBITS THE SYNTHESIS OF THYROID HORMONES

ROUTE (list)

ORAL

ATC code

H03BB02
H03BB52

PK parameters

Tmax 0.9 HOUR
VD 136 LITER (65 KILOGRAM , PMID3830069)
Cl 4.6 LITER / HOUR (65 KILOGRAM)
t1/2 5.4 HOUR

Solubility

FREELY SOLUBLE IN WATER


Target

-

PDB
2GVC (CRYSTAL STRUCTURE OF FLAVIN-CONTAINING MONOOXYGENASE (FMO)FROM S.POMBE AND SUBSTRATE (METHIMAZOLE) COMPLEX)

Ligand code = MMZ (link to the list of PDB complexes)

Download experimental 3D coordinates of MMZ with added hydrogens

DrugCentral

Thyroid peroxidase UNIPROT P07202 TPO

Download SDF file 1-methyl-3H-imidazole-2-thione

Formula:
C4H6N2S

Calculated chemical properties:

MW 114.18
NB_atoms 7
XLogP 1.08
PSA 16.52
NB_HD 1
NB_HA 2
fsp3 0.25
Lipinski(0=no;1=yes) 1

FDA
NDA 007517 (label) INN (METHIMAZOLE) TAPAZOLE (KING PHARMS) APPROVAL= AP YEAR= 1950 NEWMOLECULARENTITY DISCONTINUED
NDA 040320 (label) INN (METHIMAZOLE) TAPAZOLE (KING PHARMS LLC) APPROVAL= AP YEAR= 2000 DISCONTINUED
NDA 040350 (label) INN (METHIMAZOLE) METHIMAZOLE (MYLAN) APPROVAL= AP YEAR= 2000
NDA 040411 (pdf not found) INN (METHIMAZOLE) METHIMAZOLE (CHARTWELL RX) APPROVAL= AP YEAR= 2001
NDA 040547 (pdf not found) INN (METHIMAZOLE) METHIMAZOLE (AIPING PHARM INC) APPROVAL= AP YEAR= 2005
NDA 040619 (pdf not found) INN (METHIMAZOLE) METHIMAZOLE (DISCOVERY THERAP) APPROVAL= AP YEAR= 2005 DISCONTINUED
NDA 040734 (pdf not found) INN (METHIMAZOLE) METHIMAZOLE (HERITAGE PHARMA) APPROVAL= AP YEAR= 2007
NDA 040870 (pdf not found) INN (METHIMAZOLE) METHIMAZOLE (SUN PHARM INDS INC) APPROVAL= AP YEAR= 2007 DISCONTINUED
NDA 202068 (pdf not found) INN (METHIMAZOLE) METHIMAZOLE (RISING) APPROVAL= AP YEAR= 2012
NDA 209827 (pdf not found) INN (METHIMAZOLE) METHIMAZOLE (MACLEODS PHARMS LTD) APPROVAL= AP YEAR= 2023
NDA 218149 (pdf not found) INN (METHIMAZOLE) METHIMAZOLE (BIONPHARMA) APPROVAL= AP YEAR= 2023
NDA 218830 (pdf not found) INN (METHIMAZOLE) METHIMAZOLE (SQUARE PHARMS PLC) APPROVAL= AP YEAR= 2025 DISCONTINUED

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL