Details of the Drug

General Information of Drug (ID: DM1N4LK)

• Drug Name: 1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
• Synonyms: CHEMBL371292; piperidinylindole, 7; 1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole; SCHEMBL5251020; BDBM34148

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); 340.4
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H20N2O2S
  IUPAC Name: 1-(benzenesulfonyl)-3-piperidin-3-ylindole
  Canonical SMILES: C1CC(CNC1)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4
  InChI: InChI=1S/C19H20N2O2S/c22-24(23,16-8-2-1-3-9-16)21-14-18(15-7-6-12-20-13-15)17-10-4-5-11-19(17)21/h1-5,8-11,14-15,20H,6-7,12-13H2
  InChIKey: QUUSSZWUXRDTJG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9902533
  TTD ID: D02LFU

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] Conformationally constrained N1-arylsulfonyltryptamine derivatives as 5-HT6 receptor antagonists. Bioorg Med Chem Lett. 2005 Nov 1;15(21):4780-5.