Details of the Drug

General Information of Drug (ID: DMW59AY)

• Drug Name: N-(3-(3-aminopropyl)phenyl)benzenesulfonamide
• Synonyms: CHEMBL378179; N-(3-(3-aminopropyl)phenyl)benzenesulfonamide; SCHEMBL3125892; ZINC36093367

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); 290.4
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H18N2O2S
  IUPAC Name: N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CCCN
  InChI: InChI=1S/C15H18N2O2S/c16-11-5-7-13-6-4-8-14(12-13)17-20(18,19)15-9-2-1-3-10-15/h1-4,6,8-10,12,17H,5,7,11,16H2
  InChIKey: GTXNQXVWASTZFN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11849197
  TTD ID: D0J9MP

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.