Details of the Drug

General Information of Drug (ID: DMLC8OB)

• Drug Name: 2-Ethyl-5-methoxy-3-piperidin-4-yl-1H-indole
• Synonyms: CHEMBL194412; 1h-indole,2-ethyl-5-methoxy-3-(4-piperidinyl)-; 866404-90-2; 2-Ethyl-5-methoxy-3-piperidin-4-yl-1H-indole; ZINC28526364; BDBM50171247

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); 258.36
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H22N2O
  IUPAC Name: 2-ethyl-5-methoxy-3-piperidin-4-yl-1H-indole
  Canonical SMILES: CCC1=C(C2=C(N1)C=CC(=C2)OC)C3CCNCC3
  InChI: InChI=1S/C16H22N2O/c1-3-14-16(11-6-8-17-9-7-11)13-10-12(19-2)4-5-15(13)18-14/h4-5,10-11,17-18H,3,6-9H2,1-2H3
  InChIKey: UMTBQNCFQQORNJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44403334
  TTD ID: D0W2QN

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] 2-Alkyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoles as novel 5-HT6 receptor agonists. Bioorg Med Chem Lett. 2005 Oct 1;15(19):4230-4.