Details of the Drug

General Information of Drug (ID: DMNR3YL)

• Drug Name: (+/-)-2-Phenylthiomorpholine
• Synonyms: 2-phenylthiomorpholine; 77082-31-6; 2-PHENYL-THIOMORPHOLINE; CHEMBL608438; Thiomorpholine,2-phenyl-; (+/-)-2-Phenylthiomorpholine; AC1NMBWZ; AC1Q1ICC; Thiomorpholine, 2-phenyl-; SCHEMBL1636929; CTK5E3816; DTXSID20407436; MolPort-001-791-006; SRYHBJDVLOEJNP-UHFFFAOYSA-N; 2-Phenyl-thiomorpholine, AldrichCPR; BDBM50307369; AKOS006230101; MCULE-8074427790; QC-5067; NE56940; KB-69531; EN300-80273

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); 179.28
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H13NS
  IUPAC Name: 2-phenylthiomorpholine
  Canonical SMILES: C1CSC(CN1)C2=CC=CC=C2
  InChI: InChI=1S/C10H13NS/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2
  InChIKey: SRYHBJDVLOEJNP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5004199
  ChEBI ID: CHEMBL608438
  CAS Number: 77082-31-6
  TTD ID: D0HU4J

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.