Details of the Drug

General Information of Drug (ID: DM94B7N)

• Drug Name: 2-(3-(phenylsulfonyl)-1H-indol-1-yl)ethanamine
• Synonyms: CHEMBL188182; 2-(3-(phenylsulfonyl)-1H-indol-1-yl)ethanamine; SCHEMBL5787166; BDBM50155140

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); 300.4
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H16N2O2S
  IUPAC Name: 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CCN
  InChI: InChI=1S/C16H16N2O2S/c17-10-11-18-12-16(14-8-4-5-9-15(14)18)21(19,20)13-6-2-1-3-7-13/h1-9,12H,10-11,17H2
  InChIKey: AIHYRVVMMSIZRM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10017687
  TTD ID: D0Y1LJ

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] Novel 1-aminoethyl-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines are potent 5-HT(6) agonists. Bioorg Med Chem. 2009 Jul 15;17(14):5153-63.