Details of the Drug

General Information of Drug (ID: DM1DZEL)

• Drug Name: N,N-dimethyl-2-(2'-methylbiphenyl-3-yl)ethanamine
• Synonyms: CHEMBL395870; BDBM50210123; N,N-dimethyl-2-(2''-methylbiphenyl-3-yl)ethanamine

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); 239.35
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C17H21N
  IUPAC Name: N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine
  Canonical SMILES: CC1=CC=CC=C1C2=CC=CC(=C2)CCN(C)C
  InChI: InChI=1S/C17H21N/c1-14-7-4-5-10-17(14)16-9-6-8-15(13-16)11-12-18(2)3/h4-10,13H,11-12H2,1-3H3
  InChIKey: HOMNPSYKSQTOHK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16747715
  TTD ID: D0K0HU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 7 receptor (HTR7)	TTO9X1H	5HT7R_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 7 receptor (HTR7)	DTT	HTR7	9.79E-01	-0.08	-0.32

References

• [1] SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling. Bioorg Med Chem. 2010 Mar 1;18(5):1958-67.