Details of the Drug

General Information of Drug (ID: DM0GJVS)

Drug Name

SPONGIADIOXIN A

Synonyms

SPONGIADIOXIN A; CHEMBL185828; 329040-77-9; Dibenzo[b,e][1,4]dioxin-1-ol, 3,4,6,8-tetrabromo-; BDBM50150784

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)

515.77

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H4Br4O3
IUPAC Name: 3,4,6,8-tetrabromodibenzo-p-dioxin-1-ol
Canonical SMILES: C1=C(C=C(C2=C1OC3=C(O2)C(=C(C=C3O)Br)Br)Br)Br
InChI: InChI=1S/C12H4Br4O3/c13-4-1-6(15)10-8(2-4)18-11-7(17)3-5(14)9(16)12(11)19-10/h1-3,17H
InChIKey: SSCRQJOLSHUSSG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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

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Molecular Interaction Atlas (MIA)

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.