Detailed information for compound 1829505

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.184 | Formula: C19H20Br2N2
  • H donors: 0 H acceptors: 0 LogP: 6.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)N1N=C(CC1c1ccc(cc1)Br)C(C)(C)C
  • InChi: 1S/C19H20Br2N2/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)23(22-18)16-10-8-15(21)9-11-16/h4-11,17H,12H2,1-3H3
  • InChiKey: TZJJTVNQMMHUHH-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
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0003 0.0002 0.001
Entamoeba histolytica DNA repair and recombination protein, putative 0.0057 0.1212 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0061 0.1308 0.6481
Schistosoma mansoni ferritin light chain 0.0006 0.0065 0.0065
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0003 0.0002 0.0016
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0003 0.0002 0.0016
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0057 0.1212 1
Loa Loa (eye worm) HMP-2 protein 0.0093 0.2019 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0061 0.1308 0.1308
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.0298
Echinococcus granulosus neutral sphingomyelinase 0.0003 0.0002 0.0002
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0003 0.0002 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0061 0.1308 0.1308
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0004 0.0036 0.0298
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.0298
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0013 0.0242 0.1983
Echinococcus granulosus mixed lineage leukemia protein mll 0.0005 0.0045 0.0045
Echinococcus multilocularis T cell transcription factor 4 long C terminal 0.0062 0.133 0.133
Schistosoma mansoni ap endonuclease 0.0013 0.0242 0.0242
Echinococcus multilocularis synaptojanin 1 0.0003 0.0002 0.0002
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0003 0.0002 0.0016
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0004 0.0036 0.0298
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0003 0.0002 0.001
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0003 0.0002 0.001
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0013 0.0242 0.1996
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0003 0.0002 0.001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0061 0.1308 0.1308
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.0298
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0004 0.0036 0.0298
Schistosoma mansoni hypothetical protein 0.0057 0.1212 0.1212
Echinococcus granulosus dnaJ subfamily B 0.0267 0.5903 0.5903
Echinococcus multilocularis dnaJ subfamily B 0.0267 0.5903 0.5903
Schistosoma mansoni cpg binding protein 0.002 0.0384 0.0384
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0003 0.0002 0.0002
Schistosoma mansoni synaptojanin 0.0003 0.0002 0.0002
Schistosoma mansoni carbon catabolite repressor protein 0.0003 0.0002 0.0002
Brugia malayi Armadillo/beta-catenin-like repeat family protein 0.0093 0.2019 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0003 0.0001 0.0001
Loa Loa (eye worm) histone methyltransferase 0.0006 0.0071 0.0351
Echinococcus multilocularis microtubule associated protein 2 0.0451 1 1
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0003 0.0002 0.0016
Echinococcus granulosus cpg binding protein 0.002 0.0384 0.0384
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0003 0.0002 0.0016
Schistosoma mansoni ferritin 0.0006 0.0065 0.0065
Onchocerca volvulus Putative neutral sphingomyelinase 0.0003 0.0002 0.001
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0057 0.1212 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0003 0.0002 0.001
Echinococcus granulosus T cell transcription factor 4 long C terminal 0.0062 0.133 0.133
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.0298
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0003 0.0002 0.0016
Giardia lamblia Rrm3p helicase 0.0057 0.1212 1
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0003 0.0002 0.0002
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0003 0.0002 0.0002
Trichomonas vaginalis ap endonuclease, putative 0.0013 0.0242 0.1996
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0003 0.0002 0.0016
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0003 0.0002 0.001
Schistosoma mansoni ferritin light chain 0.0006 0.0065 0.0065
Schistosoma mansoni ferritin 0.0006 0.0065 0.0065
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0013 0.0242 0.1983
Loa Loa (eye worm) HMG box family protein 0.0062 0.133 0.6588
Onchocerca volvulus Cirhin homolog 0.0093 0.2005 1
Onchocerca volvulus 0.0019 0.036 0.1795
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0006 0.0065 0.5
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0003 0.0002 0.001
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0057 0.1212 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0003 0.0002 0.001
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0045 0.0045
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0003 0.0002 0.0002
Toxoplasma gondii histone lysine methyltransferase SET1 0.0036 0.0734 1
Onchocerca volvulus 0.0003 0.0002 0.001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0061 0.1308 0.6481
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0013 0.0242 1
Loa Loa (eye worm) hypothetical protein 0.0003 0.0002 0.001
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0003 0.0002 0.001
Loa Loa (eye worm) hypothetical protein 0.0003 0.0002 0.001
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0006 0.0071 0.0071
Brugia malayi exodeoxyribonuclease III family protein 0.0013 0.0242 0.1198
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0013 0.0242 0.1983
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0061 0.1308 0.1308
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0061 0.1308 0.1308
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0013 0.0242 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0057 0.1212 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0003 0.0002 0.001
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0013 0.0242 0.1983
Echinococcus multilocularis protein pangolin J 0.0062 0.133 0.133
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0003 0.0002 0.0016
Loa Loa (eye worm) hypothetical protein 0.0003 0.0002 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.0298
Loa Loa (eye worm) hypothetical protein 0.0003 0.0002 0.001
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0006 0.0065 0.2621
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0003 0.0002 0.0016
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0013 0.0242 1
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0003 0.0002 0.001
Treponema pallidum bacterioferrin (TpF1) 0.0006 0.0065 0.2621
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0003 0.0002 0.0016
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0003 0.0002 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.0298
Echinococcus multilocularis neutral sphingomyelinase 0.0003 0.0002 0.0002
Schistosoma mansoni cript-related 0.0003 0.0002 0.0002
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0004 0.0036 0.0298
Schistosoma mansoni nocturnin 0.0003 0.0002 0.0002
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0004 0.0036 0.0298
Onchocerca volvulus 0.0003 0.0002 0.001
Echinococcus granulosus pangolin 0.0062 0.133 0.133
Schistosoma mansoni cpg binding protein 0.002 0.0384 0.0384
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.0298
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0003 0.0002 0.0016
Schistosoma mansoni pangolin 0.0062 0.133 0.133
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0004 0.0036 0.0298
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0004 0.0036 0.0298
Trichomonas vaginalis Phospholipase C precursor, putative 0.0003 0.0002 0.0016
Treponema pallidum exodeoxyribonuclease (exoA) 0.0013 0.0242 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0013 0.0242 0.1198
Brugia malayi CXXC zinc finger family protein 0.0019 0.036 0.1783
Schistosoma mansoni synaptojanin 0.0003 0.0002 0.0002
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0003 0.0002 0.0002
Brugia malayi HMG box family protein 0.0062 0.133 0.6588
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0003 0.0002 0.001
Schistosoma mansoni apoferritin-2 0.0006 0.0065 0.0065
Echinococcus granulosus traf and tnf receptor associated protein 0.0003 0.0002 0.0002
Echinococcus granulosus synaptojanin 1 0.0003 0.0002 0.0002
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0057 0.1212 0.1212
Echinococcus multilocularis expressed protein 0.0006 0.0065 0.0065
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0006 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0227 0.4999 0.4999
Echinococcus granulosus expressed protein 0.0006 0.0065 0.0065
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0003 0.0002 0.0002
Trichomonas vaginalis helicase, putative 0.0004 0.0036 0.0298
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.0298
Toxoplasma gondii exonuclease III APE 0.0013 0.0242 0.3276
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0013 0.0242 1
Entamoeba histolytica hypothetical protein, conserved 0.0057 0.1212 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0061 0.1308 0.1308
Schistosoma mansoni neutral sphingomyelinase 0.0003 0.0002 0.0002
Schistosoma mansoni microtubule-associated protein tau 0.0451 1 1
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0006 0.0065 0.2621
Loa Loa (eye worm) CXXC zinc finger family protein 0.0019 0.036 0.1783
Schistosoma mansoni hypothetical protein 0.0003 0.0002 0.0002
Schistosoma mansoni cpg binding protein 0.0019 0.036 0.036
Echinococcus multilocularis beta catenin 0.0093 0.2019 0.2019
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0057 0.1212 1
Echinococcus granulosus ferritin 0.0006 0.0065 0.0065
Brugia malayi F/Y-rich N-terminus family protein 0.0006 0.0069 0.0342
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0013 0.0242 0.1983
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0061 0.1308 0.1308
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0003 0.0002 0.0016
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0003 0.0002 0.0016
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0003 0.0002 0.0016
Schistosoma mansoni ap endonuclease 0.0013 0.0242 0.0242
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0003 0.0002 0.0016
Echinococcus multilocularis traf and tnf receptor associated protein 0.0003 0.0002 0.0002
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0005 0.0045 0.0045
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0005 0.0045 0.0045
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0013 0.0242 0.0242
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0005 0.0045 0.0045
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0013 0.0242 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.004 0.0829 0.0829
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0013 0.0242 0.0242
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0003 0.0002 0.0002
Echinococcus granulosus beta catenin 0.0093 0.2019 0.2019
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.1212 1
Schistosoma mansoni ferritin 0.0006 0.0065 0.0065
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0004 0.0036 0.0298
Brugia malayi CCR4 0.0003 0.0002 0.001
Echinococcus multilocularis ferritin 0.0006 0.0065 0.0065
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0003 0.0002 0.001
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0003 0.0002 0.0016
Echinococcus granulosus hypothetical protein 0.0288 0.6375 0.6375
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0057 0.1212 1
Schistosoma mansoni beta-catenin 0.0093 0.2019 0.2019
Echinococcus multilocularis deoxyribonuclease 1 2 0.0003 0.0002 0.0002
Trichomonas vaginalis ap endonuclease, putative 0.0013 0.0242 0.1996
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0057 0.1212 1
Echinococcus multilocularis cpg binding protein 0.002 0.0384 0.0384
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0003 0.0002 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.0298
Schistosoma mansoni hypothetical protein 0.0267 0.5903 0.5903
Trichomonas vaginalis ferritin, putative 0.0006 0.0065 0.0535
Schistosoma mansoni apoferritin-2 0.0006 0.0065 0.0065
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0003 0.0002 0.0016
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0003 0.0002 0.0016
Schistosoma mansoni ferritin 0.0006 0.0065 0.0065
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0057 0.1212 0.1212

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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