Detailed information for compound 662887

Basic information

Technical information
  • TDR Targets ID: 662887
  • Name: ZINC01144151
  • MW: 392.244 | Formula: C18H18BrNO4
  • H donors: 1 H acceptors: 1 LogP: 4.03 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(c(c1)Br)OCC(=O)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C18H18BrNO4/c1-2-12-3-5-15(14(19)7-12)22-10-18(21)20-9-13-4-6-16-17(8-13)24-11-23-16/h3-8H,2,9-11H2,1H3,(H,20,21)
  • InChiKey: LXJZMEIXUPONES-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0049 0.0192 0.0013
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0315 0.0315
Leishmania major hexokinase, putative 0.1659 1 1
Schistosoma mansoni hexokinase 0.1659 1 1
Plasmodium falciparum hexokinase 0.1659 1 1
Onchocerca volvulus 0.1659 1 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0315 0.0315
Loa Loa (eye worm) hexokinase 0.1659 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0356 0.0303
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0117 0.0117
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0484 0.0484
Loa Loa (eye worm) hypothetical protein 0.0095 0.0475 0.0475
Entamoeba histolytica hexokinase 2 0.1659 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0105 0.532
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0197 0.4744
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0197 0.0197
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0192 0.0192
Onchocerca volvulus Hexokinase homolog 0.1041 0.6235 0.6166
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0105 0.532
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0315 0.0315
Brugia malayi Hexokinase family protein 0.1659 1 1
Echinococcus multilocularis hexokinase 0.1659 1 1
Loa Loa (eye worm) hypothetical protein 0.0527 0.3108 0.3108
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.1287 0.1287
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0144 0.5
Onchocerca volvulus 0.1041 0.6235 0.6166
Entamoeba histolytica hexokinase 1 0.1659 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0192 0.0192
Trypanosoma brucei hexokinase 0.1659 1 1
Schistosoma mansoni patched 1 0.0041 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0117
Echinococcus multilocularis protein patched 0.0041 0.0144 0.0144
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0179 0.0179
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0144 0.0144
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0356 0.0356
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0315 0.0315
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0356 1
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0315 0.0315
Echinococcus granulosus hexokinase 0.1659 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.1287 0.1287
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0356 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0356 0.0356
Brugia malayi CHE-14 protein 0.0041 0.0144 0.0144
Onchocerca volvulus 0.1659 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.0192 0.9738
Loa Loa (eye worm) hypothetical protein 0.005 0.02 0.02
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0475 0.0475
Loa Loa (eye worm) hypothetical protein 0.0049 0.0192 0.0192
Trypanosoma cruzi hexokinase, putative 0.1659 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0356 0.0356
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0225 0.0225
Loa Loa (eye worm) hexokinase 0.1041 0.6235 0.6235
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0049 0.0192 0.0192
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0049 0.0192 0.0192
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0356 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0356 0.0356
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0356 1
Schistosoma mansoni hypothetical protein 0.0039 0.0135 0.0135
Schistosoma mansoni hypothetical protein 0.0039 0.0135 0.0135
Schistosoma mansoni hypothetical protein 0.0039 0.0135 0.0135
Trypanosoma cruzi hexokinase, putative 0.1659 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.0192 0.314
Mycobacterium ulcerans hypothetical protein 0.0049 0.0192 0.314
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.1131 0.6787 0.6787
Loa Loa (eye worm) hexokinase 0.0513 0.3022 0.3022
Loa Loa (eye worm) hypothetical protein 0.0037 0.0121 0.0121
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0192 0.0192
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0192 0.314
Schistosoma mansoni hypothetical protein 0.0164 0.0893 0.0893
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0192 0.314
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0144 0.0144
Trypanosoma brucei hexokinase 0.1659 1 1
Brugia malayi hexokinase type II 0.0527 0.3108 0.3108
Schistosoma mansoni hypothetical protein 0.0047 0.0179 0.0179
Treponema pallidum hexokinase (hxk) 0.1659 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0192 0.4572
Onchocerca volvulus 0.1659 1 1
Echinococcus granulosus hexokinase 0.1659 1 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0475 0.0475
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0225 0.0225
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.0723 0.0723
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0105 0.532
Echinococcus multilocularis expressed conserved protein 0.0089 0.044 0.044
Loa Loa (eye worm) hexokinase type II 0.1659 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0192 0.0192
Echinococcus multilocularis hexokinase 0.1659 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0121 0.0121
Echinococcus granulosus geminin 0.0164 0.0893 0.0893
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0117 0.5934
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0117
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0225 0.0225
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0315 0.0315
Echinococcus granulosus hexokinase type 2 0.1659 1 1
Loa Loa (eye worm) hexokinase 0.1659 1 1
Leishmania major hexokinase, putative 0.1659 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.0893 0.0893
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.0192 0.314
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0054 0.0054
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0475 0.0475
Echinococcus granulosus hexokinase 0.1659 1 1
Schistosoma mansoni hypothetical protein 0.0039 0.0135 0.0135
Echinococcus multilocularis hexokinase 0.1659 1 1
Brugia malayi RNA binding protein 0.0069 0.0315 0.0315
Echinococcus multilocularis protein dispatched 1 0.0047 0.0179 0.0179
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.0192 0.314
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0356 0.0356
Plasmodium vivax hexokinase, putative 0.1659 1 1
Loa Loa (eye worm) hypothetical protein 0.0527 0.3108 0.3108
Brugia malayi Probable ClpP-like protease 0.0076 0.0356 0.0356
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0356 0.0356
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0228 0.1287 0.1287
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0356 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0192 0.4572
Loa Loa (eye worm) RNA binding protein 0.0069 0.0315 0.0315
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0315 0.0315
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0356 1
Brugia malayi hypothetical protein 0.0228 0.1287 0.1287
Trypanosoma brucei hexokinase, putative 0.1659 1 1
Echinococcus multilocularis hexokinase type 2 0.1659 1 1
Echinococcus multilocularis geminin 0.0164 0.0893 0.0893
Loa Loa (eye worm) hypothetical protein 0.0054 0.0225 0.0225
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.0723 0.0723
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0197 1
Toxoplasma gondii hexokinase 0.1659 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0054 0.0054
Toxoplasma gondii hypothetical protein 0.0026 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0041 0.0144 0.0144
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.162 0.9763 0.9763
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0117
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0121 0.0121
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0315 0.0315
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0192 0.314
Schistosoma mansoni survival motor neuron protein 0.0047 0.0179 0.0179
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0192 0.9738
Loa Loa (eye worm) hypothetical protein 0.0076 0.0356 0.0356
Echinococcus granulosus tar DNA binding protein 0.0069 0.0315 0.0315
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.0192 0.314
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0197 1
Brugia malayi Hexokinase family protein 0.1041 0.6235 0.6235
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0117
Brugia malayi Hexokinase family protein 0.0513 0.3022 0.3022
Brugia malayi TAR-binding protein 0.0069 0.0315 0.0315
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0475 0.0288
Echinococcus granulosus expressed conserved protein 0.0089 0.044 0.044
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0105 0.532
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0192 0.0192
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0315 0.0315

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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