Details of the Drug

General Information of Drug (ID: DMO34LJ)

Drug Name
3,4,6-Tribromo-2-(2,4-dibromo-phenoxy)-phenol
Synonyms CHEMBL186098; 6-hydroxy-2,2',3,4',5-pentabromodiphenyl ether; 3,4,6-Tribromo-2-(2,4-dibromo-phenoxy)-phenol; ZINC95606620; BDBM50150782; 497069-29-1; 2-(2,4-Dibromophenoxy)-3,4,6-tribromophenol
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): 2 Molecular Weight (mw) 580.7
Logarithm of the Partition Coefficient (xlogp) 6.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C12H5Br5O2
IUPAC Name
3,4,6-tribromo-2-(2,4-dibromophenoxy)phenol
Canonical SMILES
C1=CC(=C(C=C1Br)Br)OC2=C(C(=CC(=C2Br)Br)Br)O
InChI
InChI=1S/C12H5Br5O2/c13-5-1-2-9(6(14)3-5)19-12-10(17)7(15)4-8(16)11(12)18/h1-4,18H
InChIKey
FAGFPLJEMPQMRV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11093078
ChEBI ID
CHEMBL186098
TTD ID
D03YMX
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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]
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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.