Details of the Drug

General Information of Drug (ID: DMGJYWF)

Drug Name

6-Benzylamino-5-bromo-1H-pyrimidine-2,4-dione

Synonyms

CHEMBL161517; 28484-80-2; 5-bromo-6-(benzylamino)uracil; NSC212354; AC1L7G2Y; 6-Benzylamino-5-bromo-1H-pyrimidine-2,4-dione; 6-(benzylamino)-5-bromo-1H-pyrimidine-2,4-dione; DTXSID60309581; BDBM50022146

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)

296.12

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: C11H10BrN3O2
IUPAC Name: 6-(benzylamino)-5-bromo-1H-pyrimidine-2,4-dione
Canonical SMILES: C1=CC=C(C=C1)CNC2=C(C(=O)NC(=O)N2)Br
InChI: InChI=1S/C11H10BrN3O2/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: SLPLXDQXLWOWDS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 309896
CAS Number: 28484-80-2
TTD ID: D0D0DV

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.