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
Structure
3D MOL 2D MOL
#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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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