Details of the Drug

General Information of Drug (ID: DMI5XB1)

• Drug Name: 4-(Naphthalene-1-sulfonyl)-phenylamine
• Synonyms: CHEMBL181382; 4-(Naphthalene-1-sulfonyl)-phenylamine; SCHEMBL10775871

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); 283.3
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H13NO2S
  IUPAC Name: 4-naphthalen-1-ylsulfonylaniline
  Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)C3=CC=C(C=C3)N
  InChI: InChI=1S/C16H13NO2S/c17-13-8-10-14(11-9-13)20(18,19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,17H2
  InChIKey: WJMHQZIDRDGGIY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44390054
  TTD ID: D06QVB

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] 1-(1-Naphthyl)piperazine as a novel template for 5-HT6 serotonin receptor ligands. Bioorg Med Chem Lett. 2005 Mar 15;15(6):1707-11.