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]
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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
TTD ID: D03YMX

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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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.