Details of the Drug

General Information of Drug (ID: DM1RW4U)

• Drug Name: [2-(3H-Indol-1-yl)-ethyl]-dimethyl-amine
• Synonyms: CHEMBL363035; [2-(3H-Indol-1-yl)-ethyl]-dimethyl-amine

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); 189.28
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C12H17N2+
  IUPAC Name: 2-(3H-indol-1-ium-1-yl)-N,N-dimethylethanamine
  Canonical SMILES: CN(C)CC[N+]1=CCC2=CC=CC=C21
  InChI: InChI=1S/C12H17N2/c1-13(2)9-10-14-8-7-11-5-3-4-6-12(11)14/h3-6,8H,7,9-10H2,1-2H3/q+1
  InChIKey: YJCMFAZIOVDTLE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44393574
  TTD ID: D0ZC9Q

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] Possible differences in modes of agonist and antagonist binding at human 5-HT6 receptors. Bioorg Med Chem Lett. 2004 Sep 6;14(17):4569-73.