Details of the Drug

General Information of Drug (ID: DMKUHN9)

• Drug Name: 6-(3-Ethyl-phenylamino)-1H-pyrimidine-2,4-dione
• Synonyms: CHEMBL51750; 72255-48-2; 2,4(1H,3H)-Pyrimidinedione, 6-[(3-ethylphenyl)amino]-; 6-(3-Ethyl-phenylamino)-1H-pyrimidine-2,4-dione; CTK2H2677; DTXSID90658211; BDBM50028320

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); 231.25
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C12H13N3O2
  IUPAC Name: 6-(3-ethylanilino)-1H-pyrimidine-2,4-dione
  Canonical SMILES: CCC1=CC(=CC=C1)NC2=CC(=O)NC(=O)N2
  InChI: InChI=1S/C12H13N3O2/c1-2-8-4-3-5-9(6-8)13-10-7-11(16)15-12(17)14-10/h3-7H,2H2,1H3,(H3,13,14,15,16,17)
  InChIKey: RFKOQVWQIOZRDE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44297884
  CAS Number: 72255-48-2
  TTD ID: D0H6VK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase (TOP)	TT2GPK3	NOUNIPROTAC	Inhibitor	[1]
Herpes simplex virus DNA polymerase UL30 (HSV UL30)	TTIU7X1	DPOL_HHV11	Inhibitor	[1]

References

• [1] Inhibitors of Bacillus subtilis DNA polymerase III. 6-Anilinouracils and 6-(alkylamino)uracils. J Med Chem. 1980 Jan;23(1):34-8.