Details of the Drug

General Information of Drug (ID: DM8FTNC)

Drug Name
6-Benzylamino-5-iodo-1H-pyrimidine-2,4-dione
Synonyms 5-iodo-6-(benzylamino)uracil; CHEMBL161515; 100763-62-0; 6-Benzylamino-5-iodo-1H-pyrimidine-2,4-dione
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) 343.12
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H10IN3O2
IUPAC Name
6-(benzylamino)-5-iodo-1H-pyrimidine-2,4-dione
Canonical SMILES
C1=CC=C(C=C1)CNC2=C(C(=O)NC(=O)N2)I
InChI
InChI=1S/C11H10IN3O2/c12-8-9(14-11(17)15-10(8)16)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17)
InChIKey
XDTXBEGCSPNEIV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44374075
TTD ID
D0KN0K

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibitors of Bacillus subtilis DNA polymerase III. Influence of modifications in the pyrimidine ring of anilino- and (benzylamino)pyrimidines. J Med Chem. 1986 May;29(5):676-81.