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]
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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
CAS Number: 58413-41-5
TTD ID: D01WXR

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.