General Information of Drug (ID: DMOGREH)

Drug Name
Suplatast tosilate
Synonyms IPD; IPD-1151T; YM-672
Indication
Disease Entry ICD 11 Status REF
Allergy 4A80-4A85 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 499.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 10
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C23H33NO7S2
IUPAC Name
[3-[4-(3-ethoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium;4-methylbenzenesulfonate
Canonical SMILES
CCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI
InChI=1S/C16H25NO4S.C7H8O3S/c1-4-20-11-14(18)12-21-15-7-5-13(6-8-15)17-16(19)9-10-22(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,14,18H,4,9-12H2,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey
RYVJQEZJUFRANT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71773
CAS Number
94055-76-2
TTD ID
D0P8MI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
T(H2) cytokine production (TH2 produ) TTGPK5Y NOUNIPROTAC Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Suplatast tosilate inhibits goblet-cell metaplasia of airway epithelium in sensitized mice. J Allergy Clin Immunol. 2000 Apr;105(4):739-45.