Details of the Drug

General Information of Drug (ID: DMQ0DMU)

• Drug Name: N-(2,6-diphenylpyrimidin-4-yl)acetamide
• Synonyms: CHEMBL426565; 820961-40-8; N-(2,6-diphenylpyrimidin-4-yl)acetamide; SCHEMBL4823120; CTK3E2663; DTXSID10458098; ZINC13586450; BDBM50157676; AKOS030563968; Acetamide, N-(2,6-diphenyl-4-pyrimidinyl)-

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); 289.3
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H15N3O
  IUPAC Name: N-(2,6-diphenylpyrimidin-4-yl)acetamide
  Canonical SMILES: CC(=O)NC1=NC(=NC(=C1)C2=CC=CC=C2)C3=CC=CC=C3
  InChI: InChI=1S/C18H15N3O/c1-13(22)19-17-12-16(14-8-4-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22)
  InChIKey: ZFBASLSZDCISGS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11185362
  CAS Number: 820961-40-8
  TTD ID: D0Z3XC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

References

• [1] 2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists. J Med Chem. 2004 Dec 16;47(26):6529-40.