Details of the Drug

General Information of Drug (ID: DMC3IGK)

Drug Name
1-methyl-3-(phenylcarbamoyloxy)pyridinium bromide
Synonyms CHEMBL1173603
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 (mw) 229.25
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H13N2O2+
IUPAC Name
(1-methylpyridin-1-ium-3-yl) N-phenylcarbamate
Canonical SMILES
C[N+]1=CC=CC(=C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-15-9-5-8-12(10-15)17-13(16)14-11-6-3-2-4-7-11/h2-10H,1H3/p+1
InChIKey
HFCGFRPAGMNQAZ-UHFFFAOYSA-O
Cross-matching ID
PubChem CID
49799304
TTD ID
D0OJ9P

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine. Bioorg Med Chem. 2010 Jul 1;18(13):4687-93.