Detailed information for compound 865840

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 541.24 | Formula: C19H23Br2N7O2
  • H donors: 2 H acceptors: 4 LogP: 4.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1cc(C=NNc2nc(nc(n2)N2CCOCC2)N2CCCCC2)c(c(c1)Br)O
  • InChi: 1S/C19H23Br2N7O2/c20-14-10-13(16(29)15(21)11-14)12-22-26-17-23-18(27-4-2-1-3-5-27)25-19(24-17)28-6-8-30-9-7-28/h10-12,29H,1-9H2,(H,23,24,25,26)/b22-12+
  • InChiKey: MYCGGPJWWUJILY-WSDLNYQXSA-N  

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
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0269 0.1464
Schistosoma mansoni steroid hormone receptor ad4bp 0.0017 0.0031 0.0054
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0017 0.0029 0.7957
Schistosoma mansoni hypothetical protein 0.0024 0.0072 0.0291
Trichomonas vaginalis glucosylceramidase, putative 0.0149 0.0813 0.6673
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0228 0.1182
Trypanosoma brucei importin beta-1 subunit, putative 0.0021 0.0055 0.0089
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0017 0.0029 0.002
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0216 0.1208 1
Schistosoma mansoni importin beta-1 0.0021 0.0055 0.019
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0202 0.1128 0.2522
Plasmodium vivax ataxin-2 like protein, putative 0.0019 0.0039 0.0017
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0024 0.0072 0.0116
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0031 0.0056
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0017 0.0031 0.0076
Trypanosoma brucei PAB1-binding protein , putative 0.0019 0.0039 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0017 0.0031 0.0257
Loa Loa (eye worm) hypothetical protein 0.0052 0.0239 0.1736
Loa Loa (eye worm) MBCTL1 0.0057 0.0269 0.1979
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0077 0.0382 0.2883
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0075 0.0375 0.2023
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0075 0.0375 0.2087
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0031 0.0054
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0075 0.0375 0.0805
Trypanosoma cruzi PAB1-binding protein , putative 0.0019 0.0039 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0031 0.0257
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0076
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0029 0.0008
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.17 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0017 0.0031 0.0076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0017 0.0031 0.0076
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0076
Echinococcus granulosus snurportin 1 0.0227 0.1273 0.7395
Schistosoma mansoni ap endonuclease 0.0017 0.0029 0.0043
Trichomonas vaginalis glucosylceramidase, putative 0.0149 0.0813 0.6673
Echinococcus granulosus geminin 0.0301 0.1714 1
Echinococcus granulosus muscleblind protein 0.0158 0.0865 0.4985
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0075 0.0375 0.3104
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0017 0.0031 0.0257
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.17 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0382 0.2883
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0031 0.0257
Trichomonas vaginalis glucosylceramidase, putative 0.0142 0.0768 0.6293
Echinococcus multilocularis ecdysone induced protein 78C 0.0017 0.0031 0.0022
Schistosoma mansoni hypothetical protein 0.0301 0.1714 0.9697
Echinococcus multilocularis snurportin 1 0.0227 0.1273 0.2854
Brugia malayi RNA, U transporter 1 0.006 0.0287 0.2377
Trichomonas vaginalis glucosylceramidase, putative 0.0142 0.0768 0.6293
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0075 0.0375 0.0805
Echinococcus multilocularis geminin 0.0301 0.1714 0.3859
Toxoplasma gondii exonuclease III APE 0.0017 0.0029 0.0008
Trypanosoma cruzi Peptide deformylase 2, putative 0.0649 0.3772 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1208 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0017 0.0031 0.0257
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0017 0.0031 0.0056
Schistosoma mansoni hypothetical protein 0.0052 0.0239 0.1245
Trichomonas vaginalis glucosylceramidase, putative 0.0142 0.0768 0.6293
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0076
Brugia malayi mbt repeat family protein 0.005 0.0228 0.1888
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0031 0.0257
Schistosoma mansoni hypothetical protein 0.0301 0.1714 0.9697
Brugia malayi nuclear hormone receptor 0.0017 0.0031 0.0257
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0017 0.0029 0.002
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.0139
Leishmania major hypothetical protein, conserved 0.0019 0.0039 0.0046
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0017 0.0031 0.008
Schistosoma mansoni coup transcription factor 0.0017 0.0031 0.0054
Entamoeba histolytica hypothetical protein 0.0017 0.0031 1
Trichomonas vaginalis ap endonuclease, putative 0.0017 0.0029 0.0063
Loa Loa (eye worm) latrophilin receptor protein 2 0.0024 0.0072 0.0406
Schistosoma mansoni hypothetical protein 0.0227 0.1273 0.7171
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0017 0.0031 0.0056
Trichomonas vaginalis glucosylceramidase, putative 0.0142 0.0768 0.6293
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0017 0.0029 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0017 0.0031 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0031 0.0257
Brugia malayi exodeoxyribonuclease III family protein 0.0017 0.0029 0.0241
Leishmania major polypeptide deformylase-like protein, putative 0.0649 0.3772 1
Schistosoma mansoni hypothetical protein 0.0024 0.0072 0.0291
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0756 0.4407 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0019 0.0039 0.0017
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0017 0.0029 0.0017
Brugia malayi hypothetical protein 0.0019 0.0039 0.0323
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0017 0.0031 0.0022
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0031 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0075 0.0375 0.2023
Schistosoma mansoni retinoic acid receptor RXR 0.0017 0.0031 0.0054
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0029 0.0008
Plasmodium vivax peptide deformylase, putative 0.17 1 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.17 1 0.5
Treponema pallidum polypeptide deformylase (def) 0.17 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0142 0.0768 0.6293
Mycobacterium ulcerans peptide deformylase 0.17 1 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0228 0.0471
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0227 0.1273 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0202 0.1128 0.6534
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0031 0.0257
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1208 1
Brugia malayi mbt repeat family protein 0.005 0.0228 0.1888
Brugia malayi steroid hormone receptor 0.0017 0.0031 0.0257
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0075 0.0375 0.2023
Brugia malayi Latrophilin receptor protein 2 0.0024 0.0072 0.06
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0075 0.0375 0.2822
Echinococcus granulosus FTZ F1 alpha 0.0017 0.0031 0.0056
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0228 0.1219
Trichomonas vaginalis glucosylceramidase, putative 0.0142 0.0768 0.6293
Loa Loa (eye worm) hypothetical protein 0.0158 0.0865 0.6742
Toxoplasma gondii hypothetical protein 0.17 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0077 0.0382 0.3167
Brugia malayi photoreceptor-specific nuclear receptor 0.0017 0.0031 0.0257
Brugia malayi ecdysteroid receptor 0.0017 0.0031 0.0257
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0017 0.0031 0.0054
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0017 0.0031 0.0022
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0269 0.2231
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0017 0.0031 0.0257
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0017 0.0031 0.0054
Echinococcus granulosus ecdysone induced protein 78C 0.0017 0.0031 0.0056
Brugia malayi Importin beta-1 subunit 0.0021 0.0055 0.0454
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0017 0.0031 0.0076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0075 0.0375 0.2087
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0228 0.1182
Echinococcus granulosus GPCR family 2 0.0024 0.0072 0.03
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0649 0.3772 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0017 0.0031 0.0025
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0017 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0228 0.1649
Schistosoma mansoni hypothetical protein 0.0024 0.0072 0.0291
Toxoplasma gondii LsmAD domain-containing protein 0.0019 0.0039 0.0017
Trypanosoma brucei Peptide deformylase 2 0.0649 0.3772 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0024 0.0072 0.03
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0216 0.1208 0.9474
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0017 0.0031 0.0054
Plasmodium vivax importin-beta 2, putative 0.0021 0.0055 0.0033
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1208 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0024 0.0072 0.03
Echinococcus multilocularis muscleblind protein 1 0.0158 0.0865 0.1924
Schistosoma mansoni ap endonuclease 0.0017 0.0029 0.0043
Echinococcus multilocularis thyroid hormone receptor alpha 0.0017 0.0031 0.0022
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0649 0.3772 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0017 0.0029 0.002
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0017 0.0031 0.0056
Onchocerca volvulus 0.005 0.0228 0.2673
Plasmodium falciparum importin beta, putative 0.0021 0.0055 0.0033
Brugia malayi Steroid receptor seven-up type 2 0.0017 0.0031 0.0257
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1208 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0076
Brugia malayi latrophilin 2 splice variant baaae 0.0052 0.0239 0.1979
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0017 0.0031 0.0054
Loa Loa (eye worm) MH2 domain-containing protein 0.01 0.052 0.3982
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0228 0.1649
Trypanosoma cruzi PAB1-binding protein , putative 0.0019 0.0039 0.0046
Echinococcus granulosus importin subunit beta 1 0.0021 0.0055 0.0196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0017 0.0031 0.0076
Echinococcus multilocularis muscleblind protein 0.0158 0.0865 0.1924
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0031 0.0022
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0076
Plasmodium falciparum ataxin-2 like protein, putative 0.0019 0.0039 0.0017
Echinococcus multilocularis FTZ F1 alpha 0.0017 0.0031 0.0022
Trypanosoma cruzi Peptide deformylase 2, putative 0.0649 0.3772 1
Echinococcus multilocularis GPCR, family 2 0.0024 0.0072 0.0116
Brugia malayi nuclear receptor NHR-88 0.0017 0.0031 0.0257
Trichomonas vaginalis importin beta-1, putative 0.0017 0.0031 0.008
Trypanosoma brucei importin beta-1 subunit, putative 0.0021 0.0055 0.0089
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0017 0.0031 0.0257
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0228 0.1219
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0076
Schistosoma mansoni hypothetical protein 0.0024 0.0072 0.0291
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0228 0.0471
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0076
Brugia malayi Muscleblind-like protein 0.0158 0.0865 0.7167
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0269 0.0565
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0017 0.0031 0.0056
Schistosoma mansoni RAR-like nuclear receptor 0.0017 0.0031 0.0054
Brugia malayi MH2 domain containing protein 0.01 0.052 0.4306
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0269 0.1419
Trichomonas vaginalis ap endonuclease, putative 0.0017 0.0029 0.0063
Trichomonas vaginalis glucosylceramidase, putative 0.0142 0.0768 0.6293
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0017 0.0029 0.006
Toxoplasma gondii HEAT repeat-containing protein 0.0021 0.0055 0.0033
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1208 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0017 0.0031 0.0022
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0017 0.0031 0.008
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0228 0.1182
Loa Loa (eye worm) transcription factor SMAD2 0.01 0.052 0.3982
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0031 0.0257
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0017 0.0031 0.0076
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0017 0.0031 0.0054
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0024 0.0072 0.0116
Plasmodium falciparum peptide deformylase 0.17 1 1
Schistosoma mansoni hypothetical protein 0.031 0.1767 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0017 0.0031 0.0056
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0024 0.0072 0.06
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0017 0.0031 0.0257
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1208 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0031 0.0054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0031 0.0056
Echinococcus multilocularis importin subunit beta 1 0.0021 0.0055 0.0076
Onchocerca volvulus Glucosylceramidase homolog 0.0142 0.0768 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0055 0.0266
Trypanosoma brucei Polypeptide deformylase 1 0.0649 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0076
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0269 0.1464
Leishmania major importin beta-1 subunit, putative 0.0017 0.0031 0.0025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0031 0.0022
Brugia malayi Calcitonin receptor-like protein seb-1 0.0077 0.0382 0.3167
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0269 0.0565
Loa Loa (eye worm) hypothetical protein 0.0024 0.0072 0.0406
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0031 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0017 0.0031 0.0076
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0016 0.0022 0.0179
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0017 0.0031 0.0076
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0017 0.0031 0.0022
Loa Loa (eye worm) hypothetical protein 0.0057 0.0269 0.1979
Loa Loa (eye worm) hypothetical protein 0.0158 0.0865 0.6742
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0031 0.0257
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0017 0.0029 0.002
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0228 0.2673

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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