Details of the Drug

General Information of Drug (ID: DMAKMIJ)

• Drug Name: 3-(4-bromobenzyl)-1,1-dimethylselenourea
• Synonyms: CHEMBL398715; 3-(4-bromobenzyl)-1,1-dimethylselenourea

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 319.09
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 1
• Chemical Identifiers:
  Formula: C10H12BrN2Se
  Canonical SMILES: CN(C)C(=NCC1=CC=C(C=C1)Br)[Se]
  InChI: InChI=1S/C10H12BrN2Se/c1-13(2)10(14)12-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
  InChIKey: FFMCEZVYXHAZHZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44442159
  TTD ID: D03NMB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Urease (Bact ureC)	TTAS2UO	URE1_KLEAE	Inhibitor	[1]

References

• [1] Facile one-pot synthesis of thio and selenourea derivatives: a new class of potent urease inhibitors. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6387-91.