Details of the Drug

General Information of Drug (ID: DM5SZHR)

• Drug Name: 6-amino-5-bromouracil
• Synonyms: 6312-73-8; 5-Bromo-6-aminouracil; 6-Amino-5-bromouracil; 6-Amino-5-bromopyrimidine-2,4(1H,3H)-dione; 6-Amino-5-bromo-1H-pyrimidine-2,4-dione; 6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione; CHEMBL64909; 6-amino-5-bromopyrimidine-2,4-diol; 6-amino-5-bromo-2,4(1H,3H)-pyrimidinedione; 6-amino-5-bromo-1,3-dihydropyrimidine-2,4-dione; NSC40394; EINECS 228-638-7; NSC 27652; NSC 40394; AC1Q24DM; AC1Q50HI; AC1L2ZP9; SCHEMBL2894070; CTK5B7686; KS-00001QBO; DTXSID60212460; MolPort-000-873-593; FSLBEEVCUZFKRL-UHFFFAOYSA-N

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); 206
  Logarithm of the Partition Coefficient (xlogp); -0.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C4H4BrN3O2
  IUPAC Name: 6-amino-5-bromo-1H-pyrimidine-2,4-dione
  Canonical SMILES: C1(=C(NC(=O)NC1=O)N)Br
  InChI: InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)
  InChIKey: FSLBEEVCUZFKRL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 80578
  CAS Number: 6312-73-8
  TTD ID: D0X5RA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thymidine phosphorylase (TYMP)	TTO0IB8	TYPH_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Thymidine phosphorylase (TYMP)	DTT	TYMP	6.50E-01	-0.03	-0.25

References

• [1] Xanthine oxidase-activated prodrugs of thymidine phosphorylase inhibitors. Eur J Med Chem. 2008 Jun;43(6):1248-60.