Details of the Drug

General Information of Drug (ID: DM67A4U)

• Drug Name: 4-(3-Methyl-indole-1-sulfonyl)-phenylamine
• Synonyms: CHEMBL328816; SCHEMBL14642142; BDBM34150; n1-(4-aminobenzenesulfonyl)skatole; N-arenesulfonylindole antagonist, 9; 4-(3-methyl-1H-indole-1-sulfonyl)aniline, 8

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); 286.4
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H14N2O2S
  IUPAC Name: 4-(3-methylindol-1-yl)sulfonylaniline
  Canonical SMILES: CC1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)N
  InChI: InChI=1S/C15H14N2O2S/c1-11-10-17(15-5-3-2-4-14(11)15)20(18,19)13-8-6-12(16)7-9-13/h2-10H,16H2,1H3
  InChIKey: ZNRJXSHXWJKTGJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10356663
  TTD ID: D0XJ6D

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.