Details of the Drug

General Information of Drug (ID: DMSHDNO)

• Drug Name: (+/-)-2-Phenylthiomorpholin-5-one
• Synonyms: 2-phenylthiomorpholin-5-one; CHEMBL592160; 42109-49-9; (+/-)-2-Phenylthiomorpholin-5-one; 6-phenylthiomorpholin-3-one; SCHEMBL10833495; MolPort-039-240-430; BDBM50307372; AKOS027196661

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); 193.27
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H11NOS
  IUPAC Name: 6-phenylthiomorpholin-3-one
  Canonical SMILES: C1C(SCC(=O)N1)C2=CC=CC=C2
  InChI: InChI=1S/C10H11NOS/c12-10-7-13-9(6-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
  InChIKey: RTCSYBNOEYGSSX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 20242416
  TTD ID: D04FLL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_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
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] 2-Arylthiomorpholine derivatives as potent and selective monoamine oxidase B inhibitors. Bioorg Med Chem. 2010 Feb 15;18(4):1388-95.