Details of the Drug

General Information of Drug (ID: DMWBH9N)

• Drug Name: (S)-2-Amino-1-azetidin-1-yl-2-cyclohexyl-ethanone
• Synonyms: CHEMBL194258; (S)-2-Amino-1-azetidin-1-yl-2-cyclohexyl-ethanone

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); 196.29
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C11H20N2O
  IUPAC Name: (2S)-2-amino-1-(azetidin-1-yl)-2-cyclohexylethanone
  Canonical SMILES: C1CCC(CC1)[C@@H](C(=O)N2CCC2)N
  InChI: InChI=1S/C11H20N2O/c12-10(9-5-2-1-3-6-9)11(14)13-7-4-8-13/h9-10H,1-8,12H2/t10-/m0/s1
  InChIKey: ZFOKLNMBWVCMDT-JTQLQIEISA-N
• Cross-matching ID:
  PubChem CID: 44403067
  TTD ID: D0O9RD

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] New fluorinated pyrrolidine and azetidine amides as dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett. 2005 Nov 1;15(21):4770-3.