Details of the Drug

General Information of Drug (ID: DMOCXLW)

Drug Name
Methyl Methylsulfinylmethyl Sulfide
Synonyms
33577-16-1; methyl methylsulfinylmethyl sulfide; Methyl (methylsulfinyl)methyl sulfide; FAMSO; Methanesulfinyl-methylsulfanyl-methane; Methane, (methylsulfinyl)(methylthio)-; Formaldehyde dimethyl mercaptal S-oxide; Methyl (methylthio)methyl sulfoxide; (Methylsulfinyl)(methylthio)methane; Formaldehyde methyl mercaptal S-oxide; Sulfide, methyl (methylsulfinyl)methyl; Methyl methylthiomethyl sulfoxide; Methyl methylthiomethyl sulphoxide; NSC 181492; (Methylthio)dimethyl sulfoxide; OTKFCIVOVKCFHR-UHFFFAOYSA-N
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) 124.23
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C3H8OS2
IUPAC Name
methylsulfanyl(methylsulfinyl)methane
Canonical SMILES
CSCS(=O)C
InChI
InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3
InChIKey
OTKFCIVOVKCFHR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
99129
ChEBI ID
CHEMBL167080
CAS Number
33577-16-1
DrugBank ID
DB02311
TTD ID
D08GFY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
FK506-binding protein 1A (FKBP1A) TTMW94E FKB1A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
FK506-binding protein 1A (FKBP1A) DTT FKBP1A 9.70E-01 -0.04 -0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.