Details of the Drug

General Information of Drug (ID: DMFTLY9)

Drug Name
S-propyl propane-1-sulfinothioate
Synonyms
s-propyl propane-1-sulfinothioate; 1948-52-3; 1-Propanesulfinothioic acid, S-propyl ester; S-Propyl 1-propanesulfinothioate; S-Propyl propane-1-thiosulphinate; CHEMBL1224166; S-Propyl propane-1-thiosulfinate; 1-propylsulfinylsulfanylpropane; EINECS 217-755-9; NSC 23131; dipropyl thiosulfinate; propyl propylthiosulfinate; AC1L2MLV; AC1Q6YQN; Propyl(propylthio) sulfoxide; S-propyl propanethiosulfinate; SCHEMBL7033573; CHEBI:91021; CTK4E1637; XPRZAEWSYWTDSQ-UHFFFAOYSA-N; NSC23131; NSC-23131; BDBM50325647; S-Propyl 1-propanesulfinoth
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) 166.3
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H14OS2
IUPAC Name
1-propylsulfinylsulfanylpropane
Canonical SMILES
CCCSS(=O)CCC
InChI
InChI=1S/C6H14OS2/c1-3-5-8-9(7)6-4-2/h3-6H2,1-2H3
InChIKey
XPRZAEWSYWTDSQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
74761
ChEBI ID
CHEMBL1224166
CAS Number
1948-52-3
TTD ID
D0V7LZ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cysteine protease (CYP) TT2SUAQ NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. Bioorg Med Chem Lett. 2010 Sep 15;20(18):5541-3.