Details of the Drug

General Information of Drug (ID: DMO84TL)

Drug Name
ME-3407
Synonyms EF-4040; 2-(Butoxycarbonylmethylsulfinyl)thiazolo[5,4-b]pyridine; 2-(Thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetic acid butyl ester
Indication
Disease Entry ICD 11 Status REF
Duodenal ulcer DA63 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 298.4
Topological Polar Surface Area (xlogp) 2.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C12H14N2O3S2
IUPAC Name
butyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate
Canonical SMILES
CCCCOC(=O)CS(=O)C1=NC2=C(S1)N=CC=C2
InChI
InChI=1S/C12H14N2O3S2/c1-2-3-7-17-10(15)8-19(16)12-14-9-5-4-6-13-11(9)18-12/h4-6H,2-3,7-8H2,1H3
InChIKey
BUXNKFNNJJTLOS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6918179
TTD ID
D0L8MO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Myosin light kinase (MYLK) TT18ETS MYLK_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ME-3407, a new antiulcer agent, inhibits acid secretion by interfering with redistribution of H(+)-K(+)-ATPase. Am J Physiol. 1997 May;272(5 Pt 1):G1122-34.
2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2). Medchemcomm. 2012 Jun 1;3(6):699-709.