Details of the Drug

General Information of Drug (ID: DM79GRO)

Drug Name
Metamizole
Synonyms
Dipyrone; dipyrone; Analgin; Metamizole sodium; Methampyrone; Novalgin; sulpyrine; 68-89-3; Neomelurbrin; Methylmelubrin; Algocalmin; Optalgin; Novalgetol; Sulpyrin; Pyralgin; Narone; Novaminsulfone; Novamidazophen; Nevralgina; Pharmalgine; Algopyrine; Farmolisina; Pyretin; Keypyrone; Analgine; Noveltex; Fevonil; Diprofarn; Dimethone; Alginodia; Pyrojec; Paralgin; Metilon; Metapyrin; Gifaril; Bonpyrin; Sulpin; Conmel; Barone; Neo-melubrine; Di-podil; Aminopyrine sodium sulfonate; Novaminsulfonum; Novaminsulfon; Metamizolum natricum
Indication
Disease Entry ICD 11 Status REF
Fever MG26 Withdrawn from market [1]
Pain MG30-MG3Z Withdrawn from market [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 311.36
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C13H17N3O4S
IUPAC Name
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonic acid
Canonical SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O
InChI
InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)
InChIKey
LVWZTYCIRDMTEY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3111
ChEBI ID
CHEBI:62088
CAS Number
50567-35-6
DrugBank ID
DB04817
TTD ID
D06JRD
INTEDE ID
DR1037
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin G/H synthase 1 (COX-1) TT8NGED PGH1_HUMAN Inhibitor [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
RNA cytidine acetyltransferase (hALP)
Main DME 		DEZV4AP NAT10_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Fever
ICD Disease Classification MG26
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin G/H synthase 1 (COX-1) DTT PTGS1 3.97E-03 0.16 0.43
RNA cytidine acetyltransferase (hALP) DME NAT10 8.46E-03 -4.02E-02 -2.28E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Mechanisms of action of paracetamol and related analgesics. Inflammopharmacology. 2003;11(4):401-13.
3 N-acetyltransferase 2 polymorphisms and susceptibility to infant leukemia with maternal exposure to dipyrone during pregnancy. Cancer Epidemiol Biomarkers Prev. 2010 Dec;19(12):3037-43.