Details of the Drug

General Information of Drug (ID: DM4WOT6)

• Drug Name: 2-(3-phenylthio)phenyl)-1-aminoethane
• Synonyms: CHEMBL211688; 2-(3-phenylthio)phenyl)-1-aminoethane; 2-(3-(Phenylthio)Phenyl)Ethanamine; BDBM50193470

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); 229.34
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H15NS
  IUPAC Name: 2-(3-phenylsulfanylphenyl)ethanamine
  Canonical SMILES: C1=CC=C(C=C1)SC2=CC=CC(=C2)CCN
  InChI: InChI=1S/C14H15NS/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9-10,15H2
  InChIKey: FJLQSSVQBNJTEU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11849796
  TTD ID: D0O3GQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 6 receptor (HTR6)	TTJS8PY	5HT6R_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
5-HT 6 receptor (HTR6)	DTT	HTR6	1.23E-05	-0.12	-0.71

References

• [1] Binding of sulfonyl-containing arylalkylamines at human 5-HT6 serotonin receptors. J Med Chem. 2006 Aug 24;49(17):5217-25.