Details of the Drug

General Information of Drug (ID: DMG7EPF)

Drug Name
2,2',3-Tribromo-4,4',5,5'-tetrahydroxybibenzyl
Synonyms CHEMBL1270043; SCHEMBL15511567; BDBM50329699; 2,2'',3-Tribromo-4,4'',5,5''-tetrahydroxybibenzyl
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): 0 Molecular Weight (mw) 482.95
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H11Br3O4
IUPAC Name
3,4-dibromo-5-[2-(2-bromo-4,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
Canonical SMILES
C1=C(C(=CC(=C1O)O)Br)CCC2=CC(=C(C(=C2Br)Br)O)O
InChI
InChI=1S/C14H11Br3O4/c15-8-5-10(19)9(18)3-6(8)1-2-7-4-11(20)14(21)13(17)12(7)16/h3-5,18-21H,1-2H2
InChIKey
NFQMJMJFBMIAAK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
52945885
TTD ID
D03SKE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mycobacterium Isocitrate lyase (MycB icl) TT58ZYW ACEA_MYCTU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Bromophenols as Candida albicans isocitrate lyase inhibitors. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6644-8.