Details of the Drug

General Information of Drug (ID: DMSC862)

• Drug Name: N-(3-(aminomethyl)phenyl)benzenesulfonamide
• Synonyms: CHEMBL209909; N-(3-(aminomethyl)phenyl)benzenesulfonamide; N-[3-(aminomethyl)phenyl]benzenesulfonamide; CTK7E5754; BDBM50193462; ZINC22142484

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); 262.33
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C13H14N2O2S
  IUPAC Name: N-[3-(aminomethyl)phenyl]benzenesulfonamide
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN
  InChI: InChI=1S/C13H14N2O2S/c14-10-11-5-4-6-12(9-11)15-18(16,17)13-7-2-1-3-8-13/h1-9,15H,10,14H2
  InChIKey: RMWBQRLIFOIUFM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11849791
  TTD ID: D05SAP

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.