Details of the Drug

General Information of Drug (ID: DMYUQDK)

• Drug Name: N,N-dimethyl-2-(1-tosyl-1H-indol-3-yl)ethanamine
• Synonyms: CHEMBL248071; N,N-dimethyl-2-(1-tosyl-1H-indol-3-yl)ethanamine

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); 342.5
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H22N2O2S
  IUPAC Name: N,N-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCN(C)C
  InChI: InChI=1S/C19H22N2O2S/c1-15-8-10-17(11-9-15)24(22,23)21-14-16(12-13-20(2)3)18-6-4-5-7-19(18)21/h4-11,14H,12-13H2,1-3H3
  InChIKey: RJGTUGOGNODPPC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44438719
  TTD ID: D0SJ6E

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] Further studies on the binding of N1-substituted tryptamines at h5-HT6 receptors. Bioorg Med Chem Lett. 2007 Mar 15;17(6):1691-4.