Details of the Drug

General Information of Drug (ID: DMY5QBF)

• Drug Name: 4-(1H-indol-1-ylsulfonyl)benzenamine
• Synonyms: CHEMBL372109; BDBM34151; N-arenesulfonylindole antagonist, 10

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); 272.32
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H12N2O2S
  IUPAC Name: 4-indol-1-ylsulfonylaniline
  Canonical SMILES: C1=CC=C2C(=C1)C=CN2S(=O)(=O)C3=CC=C(C=C3)N
  InChI: InChI=1S/C14H12N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-10H,15H2
  InChIKey: FLNRELDLHZADER-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44263491
  TTD ID: D0R7VT

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 amine-substituted N1-benzenesulfonylindoles at human 5-HT6 serotonin receptors. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5298-302.