Details of the Drug

General Information of Drug (ID: DM0CEY3)

Drug Name
Lefaxin
Synonyms
PYRIDOSTIGMINE BROMIDE; 101-26-8; Mestinon; Kalimin; Regonal; Kalymin; Mestinon bromide; 3-((Dimethylcarbamoyl)oxy)-1-methylpyridin-1-ium bromide; 3-(Dimethylcarbamoyloxy)-1-methylpyridinium Bromide; Pyridostigmine (bromide); UNII-KVI301NA53; Piridostigmina bromuro [DCIT]; CCRIS 6798; HSDB 3924; 3-[(dimethylcarbamoyl)oxy]-1-methylpyridin-1-ium bromide; Pyridostigmini bromidum [INN-Latin]; EINECS 202-929-9; Ro 1-5130; Bromure de pyridostigmine [INN-French]; Pyridostigmini bromidum; Bromuro de piridostigmina [INN-Spanish
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 261.12
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C9H13BrN2O2
IUPAC Name
(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate;bromide
Canonical SMILES
C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]
InChI
InChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKey
VNYBTNPBYXSMOO-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
7550
ChEBI ID
CHEMBL812
CAS Number
101-26-8
TTD ID
D09KKU
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Coagulation factor Xa (F10) TTCIHJA FA10_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Albumin (ALB) OTVMM513 ALBU_HUMAN Protein Interaction/Cellular Processes [2]
Superoxide dismutase , mitochondrial (SOD2) OTIWXGZ9 SODM_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Coagulation factor Xa (F10) DTT F10 4.84E-02 -0.28 -0.9
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel approaches to the treatment of thrombosis. Trends Pharmacol Sci. 2002 Jan;23(1):25-32.
2 Binding of pyridostigmine bromide, N,N-diethyl-m-toluamide and permethrin, alone and in combinations, to human serum albumin. Arch Toxicol. 2002 May;76(4):203-8. doi: 10.1007/s00204-002-0328-8. Epub 2002 Mar 9.
3 The Val16Ala-SOD2 polymorphism affects cyto-genotoxicity of pyridostigmine bromide on human peripheral blood mononuclear cells. Toxicol In Vitro. 2019 Oct;60:237-244.