Details of the Drug

General Information of Drug (ID: DMX8NLB)

• Drug Name: US8853215, 3
• Synonyms: SCHEMBL631179; CHEMBL3644466; DISALCDEOIPUGE-UHFFFAOYSA-N; BDBM135825; US8853215, 3; 1-(2-tert-Butylphenyl)-4-(1H-imidazol-4-ylcarbonyl)piperazine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 312.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H24N4O
  IUPAC Name: [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone
  Canonical SMILES: CC(C)(C)C1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN=CN3
  InChI: InChI=1S/C18H24N4O/c1-18(2,3)14-6-4-5-7-16(14)21-8-10-22(11-9-21)17(23)15-12-19-13-20-15/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
  InChIKey: DISALCDEOIPUGE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 66751133
  TTD ID: D0IV0E

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasma retinol-binding protein (RBP4)	TT0C8BY	RET4_HUMAN	Inhibitor	[1]

References

• [1] Derivatives of N-acyl-N-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes. US8853215.