Details of the Drug

General Information of Drug (ID: DMKFSQ8)

• Drug Name: (+/-)-2-(4'-Methoxyphenyl)thiomorpholine
• Synonyms: 2-(4-methoxyphenyl)thiomorpholine; CHEMBL598395; AC1Q4AWZ; 2-(4-Methoxyphenyl) Thiomorpholine Hydrochloride; SCHEMBL1636984; AC1NM467; YAPWTYUHWOWUHY-UHFFFAOYSA-N; 2-(4-methoxyphenyl)-thiomorpholine; 2-(4'-methoxyphenyl)thiomorpholine; BDBM50307365; AKOS022304555; MCULE-4309621221; 1001940-39-1

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); 209.31
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C11H15NOS
  IUPAC Name: 2-(4-methoxyphenyl)thiomorpholine
  Canonical SMILES: COC1=CC=C(C=C1)C2CNCCS2
  InChI: InChI=1S/C11H15NOS/c1-13-10-4-2-9(3-5-10)11-8-12-6-7-14-11/h2-5,11-12H,6-8H2,1H3
  InChIKey: YAPWTYUHWOWUHY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4996817
  CAS Number: 1001940-39-1
  TTD ID: D08TFN

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.