Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: CHEMBL3104293

Name Class
CHEMBL3104293TypeOrganophosphate
Carboxamide
Other_NameCompound 25
BDBM150745
[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] diethyl phosphate
5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl diethyl phosphate (25)
Chemical_Nomenclature[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] diethyl phosphate
FormulaC17H17Cl3NO5P
MW452.6
PaperKratky_2014_Bioorg.Chem_58C_48
Imramovsky_2012_Molecules_17_10142
Vinsova_2014_Molecules_19_7152
CommentIC50 ACHE 45.5 +/- 4.4 microM BCHE 0.903 +/- 0.003 micro M This is the most active compound against BCHE in Kratky et al. 2014. Many more compounds of this class were tested by the same group but were not more active compounds (Imramovsky et al. 2012) and Phosphorothioates analogues were tested also for antimycobacterial activity Vinsova et al. 2014
CID73334558
FamilyBCHE
InChIKeyVAVYJVCTFBRYSO-UHFFFAOYSA-N
CanonicalSMILESCCOP(=O)(OCC)OC1=C(C=CC(=C1)Cl)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChIInChI=1S/C17H17Cl3NO5P/c1-3-24-27(23,25-4-2)26-16-9-11(18)5-7-13(16)17(22)21-12-6-8-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)

Send your questions or comments to :
Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
For technical information about these pages see:
ESTHER Home Page and ACEDB Home Page
AcePerl Lincoln Stein Home Page
webmaster

Acknowledgements and disclaimer