Details of the Drug

General Information of Drug (ID: DMAJCVL)

• Drug Name: [2-(3-Benzyl-3H-inden-1-yl)-ethyl]-methyl-amine
• Synonyms: CHEMBL194174; [2-(3-Benzyl-3H-inden-1-yl)-ethyl]-methyl-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); 263.4
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C19H21N
  IUPAC Name: 2-(3-benzyl-3H-inden-1-yl)-N-methylethanamine
  Canonical SMILES: CNCCC1=CC(C2=CC=CC=C21)CC3=CC=CC=C3
  InChI: InChI=1S/C19H21N/c1-20-12-11-16-14-17(13-15-7-3-2-4-8-15)19-10-6-5-9-18(16)19/h2-10,14,17,20H,11-13H2,1H3
  InChIKey: UHYPQIJLHJTNMK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44401277
  TTD ID: D05JPG

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 isotryptamines and indenes at h5-HT6 serotonin receptors. Bioorg Med Chem Lett. 2005 Apr 15;15(8):1987-91.