Details of the Drug

General Information of Drug (ID: DMRWZ6T)

• Drug Name: 4-((1H-indol-1-yl)methyl)benzenamine
• Synonyms: CHEMBL247281; 4-((1H-indol-1-yl)methyl)benzenamine; SCHEMBL14338710; BDBM50203132

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); 222.28
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C15H14N2
  IUPAC Name: 4-(indol-1-ylmethyl)aniline
  Canonical SMILES: C1=CC=C2C(=C1)C=CN2CC3=CC=C(C=C3)N
  InChI: InChI=1S/C15H14N2/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-10H,11,16H2
  InChIKey: CRNJIXJRSKNGTP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 19779451
  TTD ID: D0FV7K

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] Further studies on the binding of N1-substituted tryptamines at h5-HT6 receptors. Bioorg Med Chem Lett. 2007 Mar 15;17(6):1691-4.