General Information of Drug (ID: DMMFWYX)

Drug Name
6-(3-Bromo-phenylamino)-1H-pyrimidine-2,4-dione
Synonyms
CHEMBL291461; 6-(3-Bromo-phenylamino)-1H-pyrimidine-2,4-dione; 72255-49-3; 2,4(1H,3H)-Pyrimidinedione, 6-[(3-bromophenyl)amino]-; 6-[(3-bromophenyl)amino]pyrimidine-2,4(1H,3H)-dione; AC1LFXXC; Oprea1_136416; Oprea1_839686; MLS000713738; CTK2H2676; DTXSID30355636; MolPort-001-933-580; ZINC322347; HMS3363I15; HMS2635L06; HMS1673K06; BDBM50028343; STK385018; AKOS000541603; MCULE-5935337788; SMR000273219; BAS 00450422; ST50002707; 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione; AB00091424-01
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) 282.09
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H8BrN3O2
IUPAC Name
6-(3-bromoanilino)-1H-pyrimidine-2,4-dione
Canonical SMILES
C1=CC(=CC(=C1)Br)NC2=CC(=O)NC(=O)N2
InChI
InChI=1S/C10H8BrN3O2/c11-6-2-1-3-7(4-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
InChIKey
CFLHCISOVMSSHJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
810824
CAS Number
72255-49-3
TTD ID
D0AW7G

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. 6-Anilinouracils and 6-(alkylamino)uracils. J Med Chem. 1980 Jan;23(1):34-8.