Details of the Drug

General Information of Drug (ID: DM18E9D)

• Drug Name: (1R,2R)-1,2-diphenylethane-1,2-diamine
• Synonyms: 35132-20-8; (1R,2R)-(+)-1,2-Diphenylethylenediamine; (1R,2R)-rel-1,2-Diphenylethane-1,2-diamine; (1R,2R)-1,2-Diphenylethylenediamine; 16635-95-3; (+)-1,2-diphenylethylenediamine; MFCD00082769; (+)-STILBENEDIAMINE; (R,R)-DPEN; (r,r)-(+)-1,2-diphenylethylenediamine; CHEMBL381340; (1r,2r)-1,2-diphenyl-ethane-1,2-diamine; 1,2-Ethanediamine, 1,2-diphenyl-, (1R,2R)-; (1R,2R)-(+)-1,2-Diphenyl-1,2-ethane diam

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); 212.29
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H16N2
  IUPAC Name: (1R,2R)-1,2-diphenylethane-1,2-diamine
  Canonical SMILES: C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)N)N
  InChI: InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m1/s1
  InChIKey: PONXTPCRRASWKW-ZIAGYGMSSA-N
• Cross-matching ID:
  PubChem CID: 2724998
  CAS Number: 35132-20-8
  TTD ID: D0P5OE

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.