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]
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
ChEBI ID
CHEMBL462942
CAS Number
80246-24-8
TTD ID
D0C3AG
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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]
Molecular Interaction Atlas (MIA) 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.