DZ1

N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide

Created:2008-10-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count34
Aromatic Bond Count12
2D diagram of DZ1
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Chemical Component Summary

NameN-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
Systematic Name (OpenEye OEToolkits)N-(3,5-dibromo-4-hydroxy-phenyl)-2,6-dimethyl-benzamide
FormulaC15 H13 Br2 N O2
Molecular Weight399.077
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1cc(cc(Br)c1O)NC(=O)c2c(cccc2C)C
SMILESCACTVS3.341Cc1cccc(C)c1C(=O)Nc2cc(Br)c(O)c(Br)c2
SMILESOpenEye OEToolkits1.5.0Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C
Canonical SMILESCACTVS3.341 Cc1cccc(C)c1C(=O)Nc2cc(Br)c(O)c(Br)c2
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C
InChIInChI1.03 InChI=1S/C15H13Br2NO2/c1-8-4-3-5-9(2)13(8)15(20)18-10-6-11(16)14(19)12(17)7-10/h3-7,19H,1-2H3,(H,18,20)
InChIKeyInChI1.03 IFECSMFQARKPSU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07693 
NameN-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
Groups experimental
SynonymsN-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
TransthyretinMASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 25210478
ChEMBL CHEMBL489657