Details of the Drug

General Information of Drug (ID: DMHI50W)

• Drug Name: 4-(Indan-1-ylsulfanyl)-phenylamine
• Synonyms: CHEMBL191844; 4-(Indan-1-ylsulfanyl)-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); 241.4
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H15NS
  IUPAC Name: 4-(2,3-dihydro-1H-inden-1-ylsulfanyl)aniline
  Canonical SMILES: C1CC2=CC=CC=C2C1SC3=CC=C(C=C3)N
  InChI: InChI=1S/C15H15NS/c16-12-6-8-13(9-7-12)17-15-10-5-11-3-1-2-4-14(11)15/h1-4,6-9,15H,5,10,16H2
  InChIKey: WWGLOFVWIRHNNH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44401620
  TTD ID: D01DCE

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.