Details of the Drug

General Information of Drug (ID: DM6YON7)

• Drug Name: 4-Indan-1-ylmethyl-phenylamine
• Synonyms: CHEMBL364089; 4-Indan-1-ylmethyl-phenylamine

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); 223.31
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C16H17N
  IUPAC Name: 4-(2,3-dihydro-1H-inden-1-ylmethyl)aniline
  Canonical SMILES: C1CC2=CC=CC=C2C1CC3=CC=C(C=C3)N
  InChI: InChI=1S/C16H17N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-6,9-10,14H,7-8,11,17H2
  InChIKey: IFNMCDJEFWXUCT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44401390
  TTD ID: D0X1IU

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.