Details of the Drug

General Information of Drug (ID: DMK4LTB)

• Drug Name: 2,3,4,5-Tetrabromo-6-(2,4-dibromo-phenoxy)-phenol
• Synonyms: CHEMBL362761; Phenol, 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)-; 111863-67-3; ACMC-20meye; 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)phenol; 2,3,4,5-Tetrabromo-6-(2,4-dibromo-phenoxy)-phenol; CTK0G1675; DTXSID50433647; BDBM50150785; 2,2',3,4,4',5-Hexabromo-6-hydroxydiphenyl ether; 2,3,4,5-tetrabromo-6-(2',4'-dibromophenoxy)phenol; 2-(2'',4''-dibromophenoxy-3,4,5,6-tetrabromophenol

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 659.6
  Logarithm of the Partition Coefficient (xlogp); 7.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H4Br6O2
  IUPAC Name: 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)phenol
  Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)O
  InChI: InChI=1S/C12H4Br6O2/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,19H
  InChIKey: LDMKXEGTHGJWLG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9986835
  ChEBI ID: CHEMBL362761
  CAS Number: 111863-67-3
  TTD ID: D0X4CI
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 12-lipoxygenase (12-LOX)	TT12ABZ	LOX12_HUMAN	Inhibitor	[1]
Arachidonate 15-lipoxygenase (15-LOX)	TTN9T81	LOX15_HUMAN	Inhibitor	[1]

References

• [1] Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase. J Med Chem. 2004 Jul 29;47(16):4060-5.