Detailed information for compound 1856335

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.024 | Formula: C10H13Br2NO
  • H donors: 1 H acceptors: 0 LogP: 3.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(COc1c(Br)cccc1Br)C
  • InChi: 1S/C10H13Br2NO/c1-7(13-2)6-14-10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3
  • InChiKey: RXDRVQIJKCOLKQ-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
Trypanosoma cruzi hypothetical protein, conserved 0.181 0.3493 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0069 0.0127 0.1754
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.036 0.069 0.1673
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0069 0.0127 0.1799
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Entamoeba histolytica hypothetical protein 0.0203 0.0386 0.4601
Loa Loa (eye worm) hypothetical protein 0.0013 0.0018 0.0146
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0069 0.0127 0.1845
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0069 0.0127 0.1799
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0069 0.0127 0.1799
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0203 0.0386 0.0382
Trichomonas vaginalis conserved hypothetical protein 0.0134 0.0252 0.3619
Loa Loa (eye worm) hypothetical protein 0.0013 0.0018 0.0146
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.036 0.069 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0069 0.0127 0.1752
Loa Loa (eye worm) hypothetical protein 0.0227 0.0431 0.6205
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0069 0.0127 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Echinococcus multilocularis cpg binding protein 0.0026 0.0043 0.0038
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.036 0.069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.0386 0.5572
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0046 0.056
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.036 0.069 0.1673
Toxoplasma gondii target of rapamycin (TOR), putative 0.036 0.069 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0069 0.0127 0.5
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0069 0.0127 0.0123
Toxoplasma gondii FATC domain-containing protein 0.0203 0.0386 0.5002
Schistosoma mansoni cpg binding protein 0.0024 0.004 0.0583
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0051 0.0093 0.1345
Entamoeba histolytica protein kinase rad3, putative 0.0203 0.0386 0.4601
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0069 0.0127 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.0386 0.5572
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0069 0.0127 0.1799
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0069 0.0127 0.1845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0127 0.1799
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.036 0.069 0.0686
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0069 0.0127 0.1799
Trypanosoma brucei target of rapamycin kinase 3, putative 0.036 0.069 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0069 0.0127 0.1754
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0069 0.0127 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0069 0.0127 0.1752
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0069 0.0127 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0127 0.1799
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0069 0.0127 0.1754
Trypanosoma cruzi target of rapamycin kinase 3 0.036 0.069 0.1673
Plasmodium vivax hypothetical protein, conserved 0.0069 0.0127 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Brugia malayi intermediate filament protein 0.0027 0.0046 0.0562
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0.0127 0.0743
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0069 0.0127 0.1845
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0.0127 0.0743
Giardia lamblia GTOR 0.036 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0297 0.424
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0069 0.0127 0.1754
Schistosoma mansoni hypothetical protein 0.0157 0.0297 0.4305
Loa Loa (eye worm) hypothetical protein 0.0069 0.0127 0.1752
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0069 0.0127 0.1799
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0008 0.0003
Echinococcus granulosus lamin 0.0027 0.0046 0.0041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0068 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.036 0.069 0.1609
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0019 0.0014
Mycobacterium tuberculosis Conserved hypothetical protein 0.0069 0.0127 0.5
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0069 0.0127 0.0123
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0203 0.0386 0.077
Mycobacterium leprae conserved hypothetical protein 0.0069 0.0127 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0045 0.0545
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0069 0.0127 0.1845
Brugia malayi CXXC zinc finger family protein 0.0024 0.004 0.0478
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0069 0.0127 0.1752
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.069 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0203 0.0386 0.5597
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0039 0.0068 0.0885
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0068 0.0986
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0203 0.0386 0.5548
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0069 0.0127 0.0123
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0069 0.0127 0.0123
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.036 0.069 0.0686
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0068 0.0063
Echinococcus granulosus cpg binding protein 0.0026 0.0043 0.0038
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0069 0.0127 0.1845
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.036 0.069 0.1609
Echinococcus multilocularis 0.0069 0.0127 0.0123
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0039 0.0068 0.0883
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0157 0.0297 0.0292
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.036 0.069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis conserved hypothetical protein 0.0227 0.0431 0.6226
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0069 0.0127 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Echinococcus granulosus serine protein kinase ATM 0.0203 0.0386 0.0382
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.036 0.069 0.0686
Echinococcus multilocularis lamin 0.0027 0.0046 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.0386 0.5572
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0019 0.0014
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.036 0.069 0.1673
Leishmania major phosphatidylinositol 3-related kinase, putative 0.036 0.069 0.1609
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.036 0.069 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.036 0.069 0.1673
Echinococcus multilocularis Zinc finger, PHD finger 0.0069 0.0127 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.0386 0.5572
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.036 0.069 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0069 0.0127 0.1799
Onchocerca volvulus 0.0069 0.0127 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0127 0.1799
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0008 0.0003
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0069 0.0127 0.1799
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.0386 0.5572
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.5174 1 1
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0022 0.0204
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.036 0.069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.0386 0.5572
Trichomonas vaginalis PIKK family atypical protein kinase 0.0134 0.0252 0.3619
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0068 0.0063
Onchocerca volvulus 0.0069 0.0127 1
Schistosoma mansoni lamin 0.0027 0.0046 0.0666
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0203 0.0386 0.077
Loa Loa (eye worm) phosphatidylinositol 3 0.0069 0.0127 0.1752
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0022 0.0201
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0069 0.0127 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0069 0.0127 0.1754
Onchocerca volvulus 0.0027 0.0046 0.0662
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0069 0.0127 0.1845
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0069 0.0127 0.0123
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.069 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0069 0.0127 0.1799
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0203 0.0386 0.0382
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0069 0.0127 0.1754
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.036 0.069 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.036 0.069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0069 0.0127 0.1799
Schistosoma mansoni cpg binding protein 0.0026 0.0043 0.0621
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.036 0.069 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0068 0.0986
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.0297 0.4273
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.056
Schistosoma mansoni cpg binding protein 0.0026 0.0043 0.0621
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0203 0.0386 0.5597
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0006 0.0005 0.0071
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0046 0.0041
Loa Loa (eye worm) CXXC zinc finger family protein 0.0024 0.004 0.0475
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0068 0.0986
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0069 0.0127 0.0123
Loa Loa (eye worm) phosphatidylinositol kinase 0.0069 0.0127 0.1752
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0069 0.0127 0.1799
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.0386 0.5572
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Schistosoma mansoni lamin 0.0027 0.0046 0.0666
Brugia malayi FAT domain containing protein 0.0157 0.0297 0.4242
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0069 0.0127 0.1752
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0069 0.0127 0.5
Echinococcus multilocularis musashi 0.0027 0.0046 0.0041
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0203 0.0386 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.036 0.069 0.1609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0068 0.0063
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0069 0.0127 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0134 0.0252 0.0371
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0046 0.0562
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Echinococcus multilocularis lamin dm0 0.0027 0.0046 0.0041
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.036 0.069 1
Onchocerca volvulus 0.0027 0.0046 0.0662
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0227 0.0431 0.5741
Echinococcus granulosus lamin dm0 0.0027 0.0046 0.0041
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0203 0.0386 0.5548
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0046 0.056
Loa Loa (eye worm) hypothetical protein 0.0203 0.0386 0.5547
Leishmania major phosphatidylinositol 3-kinase, putative 0.036 0.069 0.1609
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0069 0.0127 0.5
Echinococcus multilocularis serine protein kinase ATM 0.0203 0.0386 0.0382
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0069 0.0127 0.1752
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0069 0.0127 0.1845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.0386 0.5572
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0069 0.0127 0.1799
Schistosoma mansoni intermediate filament proteins 0.0027 0.0046 0.0666
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0069 0.0127 0.0123
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0069 0.0127 0.0123
Loa Loa (eye worm) hypothetical protein 0.0013 0.0019 0.016
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0069 0.0127 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 0.0252 0.3582
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0431 0.6226
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.069 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0069 0.0127 0.1799
Schistosoma mansoni hypothetical protein 0.0069 0.0127 0.1845
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0069 0.0127 0.1754
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0.0127 0.0743
Leishmania major hypothetical protein, conserved 0.1879 0.3627 1
Plasmodium vivax hypothetical protein 0.0069 0.0127 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.036 0.069 0.0686
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0.0127 0.0743
Loa Loa (eye worm) hypothetical protein 0.0069 0.0127 0.1752
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0227 0.0431 0.5399
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0203 0.0386 0.4601
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0157 0.0297 0.0292
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0.0127 0.0743

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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