Details of the Drug

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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.