Details of the Drug

General Information of Drug (ID: DMNMYWI)

• Drug Name: C-(2'-Chloro-biphenyl-2-yl)-methylamine
• Synonyms: CHEMBL206496; 2'-Chlorobiphenyl-2-methylamine; [2-(2-chlorophenyl)phenyl]methanamine; AC1LRCRY; SCHEMBL6862516; BDBM50178431; AKOS010258410; 876170-46-6

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); 217.69
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H12ClN
  IUPAC Name: [2-(2-chlorophenyl)phenyl]methanamine
  Canonical SMILES: C1=CC=C(C(=C1)CN)C2=CC=CC=C2Cl
  InChI: InChI=1S/C13H12ClN/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-8H,9,15H2
  InChIKey: CQHFRBPHEMVDPT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1393052
  TTD ID: D06NRU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dipeptidyl peptidase 4 (DPP-4)	TTDIGC1	DPP4_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
Dipeptidyl peptidase 4 (DPP-4)	DTT	DPP4	9.54E-01	-0.27	-1.85

References

• [1] In silico fragment-based discovery of DPP-IV S1 pocket binders. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1405-9.