Details of the Drug

General Information of Drug (ID: DMENSOZ)

• Drug Name: Monothioglycerol
• Synonyms: 3-Mercapto-1,2-propanediol; Monothioglycerol; 1-Thioglycerol; 96-27-5; THIOGLYCEROL; 3-Mercaptopropane-1,2-diol; Thioglycerine; Thioglycerin; Thiovanol; alpha-Thioglycerol; Glycerol-1-thiol; 1-Monothioglycerol; 1-Mercaptoglycerol; Monothioglycerin; 2,3-Dihydroxypropanethiol; alpha-Thiolglycerol; 3-Sulfanylpropane-1,2-diol; 1-Mercapto-2,3-propanediol; Glycerol, 1-thio-; alpha-Monothioglycerol; 1-Thio-2,3-propanediol; USAF CB-37; USAF B-40; 3-Mercapto-1,2-propanediole; 1,2-Propanediol, 3-mercapto-; NSC 5370; .alpha.-Thioglycerol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 108.16
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C3H8O2S
  IUPAC Name: 3-sulfanylpropane-1,2-diol
  Canonical SMILES: C(C(CS)O)O
  InChI: InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2
  InChIKey: PJUIMOJAAPLTRJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 7291
  ChEBI ID: CHEMBL74537
  CAS Number: 96-27-5
  UNII: AAO1P0WSXJ
  DrugBank ID: DB03864
  TTD ID: D01WXB
• 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 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

References

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