Details of the Drug

General Information of Drug (ID: DM3FBLT)

• Drug Name: 2-(3-benzenesulfonyl)phenyl-1-aminoethane
• Synonyms: CHEMBL209383; 2-(3-benzenesulfonyl)phenyl-1-aminoethane; ZINC36093365

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); 261.339
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H15NO2S
  IUPAC Name: 2-[3-(benzenesulfonyl)phenyl]ethanamine
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)CCN
  InChI: InChI=1S/C14H15NO2S/c15-10-9-12-5-4-8-14(11-12)18(16,17)13-6-2-1-3-7-13/h1-8,11H,9-10,15H2
  InChIKey: PXOKRWBUDGQCDL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11849199
  TTD ID: D07LIE

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.