Details of the Drug

General Information of Drug (ID: DM34R10)

Drug Name
N-(4,5-diphenylpyrimidin-2-yl)acetamide
Synonyms
CHEMBL225244; 58413-41-5; N-(4,5-diphenylpyrimidin-2-yl)acetamide; CTK1E9829; DTXSID90482573; 2-acetamido-4,6-diphenylpyrimidine; ZINC13586468; BDBM50157675; AKOS030564193; Acetamide, N-(4,6-diphenyl-2-pyrimidinyl)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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-(4,6-diphenylpyrimidin-2-yl)acetamide
Canonical SMILES
CC(=O)NC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H15N3O/c1-13(22)19-18-20-16(14-8-4-2-5-9-14)12-17(21-18)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22)
InChIKey
ZDCIIHIXQUEUCV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12253310
ChEBI ID
CHEMBL225244
CAS Number
58413-41-5
TTD ID
D01WXR
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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 A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.