Details of the Drug

General Information of Drug (ID: DM7HN4Z)

• Drug Name: 2-(2'-methyl-biphenyl-3-yl)-ethylamine
• Synonyms: CHEMBL234885; ZINC28821767; BDBM50210124; AKOS022255130; 2-(2''-methyl-biphenyl-3-yl)-ethylamine

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); 211.3
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C15H17N
  IUPAC Name: 2-[3-(2-methylphenyl)phenyl]ethanamine
  Canonical SMILES: CC1=CC=CC=C1C2=CC=CC(=C2)CCN
  InChI: InChI=1S/C15H17N/c1-12-5-2-3-8-15(12)14-7-4-6-13(11-14)9-10-16/h2-8,11H,9-10,16H2,1H3
  InChIKey: KQRAKUVQYREATE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 35985234
  TTD ID: D0I0ML

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Inhibitor	[1]
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 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] Novel aminoethylbiphenyls as 5-HT7 receptor ligands. Bioorg Med Chem Lett. 2007 Jun 1;17(11):3018-22.