Details of the Drug

General Information of Drug (ID: DMIOTQ8)

Drug Name
1-Hydroxy-1-Thio-Glycerol
Synonyms 1-HYDROXY-1-THIO-GLYCEROL; SGL; AC1NRD54; SCHEMBL5003699; DB01684; (2R)-3-hydroxysulfanylpropane-1,2-diol; (2R)-2,3-dihydroxypropane-1-sulfenic acid
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) 124.16
Logarithm of the Partition Coefficient (xlogp) -1.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C3H8O3S
IUPAC Name
(2R)-3-hydroxysulfanylpropane-1,2-diol
Canonical SMILES
C([C@H](CSO)O)O
InChI
InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1
InChIKey
DLQCXFUWHQZWJQ-GSVOUGTGSA-N
Cross-matching ID
PubChem CID
5289354
DrugBank ID
DB01684
TTD ID
D0M9VP
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
Prolyl endopeptidase (PREP) TTNGKET PPCE_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
Prolyl endopeptidase (PREP) DTT PREP 5.70E-01 -0.09 -0.33
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.