Details of the Drug

General Information of Drug (ID: DMQYEZP)

Drug Name

2,3,4-tribromo-6-(2,4-dibromophenoxy)phenol

Synonyms

CHEMBL462942; 80246-24-8; 2,3,4-tribromo-6-(2,4-dibromophenoxy)phenol; SCHEMBL5531128; CTK3E5867; DTXSID70475089; 2-OH-BDE-123; ZINC44386786; BDBM50292444; 2-hydroxy-2',3,4,4',5-pentabromodiphenyl ether; Phenol, 2,3,4-tribromo-6-(2,4-dibromophenoxy)-

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: 2,3,4-tribromo-6-(2,4-dibromophenoxy)phenol
Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C(=C2O)Br)Br)Br
InChI: InChI=1S/C12H5Br5O2/c13-5-1-2-8(6(14)3-5)19-9-4-7(15)10(16)11(17)12(9)18/h1-4,18H
InChIKey: FSIJSYKTNOYMTQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11978695
CAS Number: 80246-24-8
TTD ID: D0C3AG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamine amidotransferase (GMPS)	TTCFP0V	GUAA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Enzyme inhibitors: new and known polybrominated phenols and diphenyl ethers from four Indo-Pacific Dysidea sponges. J Nat Prod. 1995 Sep;58(9):1384-91.