Detailed information for compound 691235

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.294 | Formula: C16H15Cl2N5O2S
  • H donors: 2 H acceptors: 5 LogP: 4.7 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc(O)nc2n1c(SCC(=O)Nc1ccc(c(c1)Cl)Cl)nn2
  • InChi: 1S/C16H15Cl2N5O2S/c1-2-3-10-7-13(24)20-15-21-22-16(23(10)15)26-8-14(25)19-9-4-5-11(17)12(18)6-9/h4-7H,2-3,8H2,1H3,(H,19,25)(H,20,21,24)
  • InChiKey: CHFKQNDKDPQCFY-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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.093 0.161
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0537 0.305
Trypanosoma cruzi hypothetical protein, conserved 0.0061 0.14 1
Brugia malayi Cytochrome P450 family protein 0.0015 0.0103 0.0122
Echinococcus multilocularis Chromo domain 0.0012 0.0035 0.0002
Entamoeba histolytica hypothetical protein 0.0105 0.2623 0.2455
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0158 0.0428
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0198 0.5237 0.8153
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0063 0.0174
Echinococcus multilocularis global transcription activator snf2l2 0.0071 0.1682 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0158 0.0221
Schistosoma mansoni hypothetical protein 0.0038 0.0757 0.4385
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0103 0.0123
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.093 0.161
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.5595 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0223 0.4161
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0198 0.5237 0.8153
Loa Loa (eye worm) hypothetical protein 0.0053 0.1168 0.2039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.093 0.5437
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0198 0.5237 0.8153
Brugia malayi cytochrome P450 0.0015 0.0103 0.0122
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0105 0.2623 0.2455
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0158 0.0428
Schistosoma mansoni hypothetical protein 0.0036 0.07 0.4043
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0158 0.0752
Loa Loa (eye worm) hypothetical protein 0.003 0.0537 0.0903
Echinococcus multilocularis GPCR, family 2 0.0017 0.0158 0.0747
Brugia malayi Pre-SET motif family protein 0.003 0.0537 0.0903
Brugia malayi hypothetical protein 0.0019 0.0227 0.0346
Loa Loa (eye worm) BRM protein 0.0045 0.0962 0.1668
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0158 0.2948
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0158 0.2948
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0522 1
Onchocerca volvulus 0.0239 0.6411 1
Entamoeba histolytica hypothetical protein 0.0038 0.0757 0.0546
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0223 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0158 0.0752
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0537 0.305
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0158 0.0752
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0158 0.0747
Schistosoma mansoni ap endonuclease 0.0019 0.0223 0.1147
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0522 0.3234
Mycobacterium leprae Conserved hypothetical protein 0.0015 0.0103 0.5
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0198 0.5237 0.9356
Echinococcus granulosus global transcription activator snf2l2 0.0071 0.1682 1
Leishmania major hypothetical protein, conserved 0.003 0.0522 0.3234
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0537 0.305
Schistosoma mansoni hypothetical protein 0.0013 0.0063 0.0174
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0522 0.3234
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0013 0.0053 0.0981
Mycobacterium leprae putative cytochrome p450 0.0015 0.0103 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0158 0.0162
Brugia malayi BRM protein 0.0071 0.1682 0.2962
Schistosoma mansoni hypothetical protein 0.0017 0.0158 0.0747
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0061 0.14 0.2118
Echinococcus granulosus GPCR family 2 0.0017 0.0158 0.0747
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0506 0.286
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0158 0.0428
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0103 0.0123
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0061 0.14 0.2118
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0158 0.0223
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0223 0.4278
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1168 0.2039
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0223 0.093
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0158 0.3031
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0103 0.0123
Schistosoma mansoni hypothetical protein 0.0015 0.0103 0.0415
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0198 0.5237 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0223 0.034
Trichomonas vaginalis set domain proteins, putative 0.0239 0.6411 1
Loa Loa (eye worm) cytochrome P450 0.0015 0.0103 0.0123
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0223 0.093
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0198 0.5237 0.8153
Onchocerca volvulus 0.0198 0.5237 0.8001
Echinococcus multilocularis 0.0015 0.0103 0.0415
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0223 0.0268
Schistosoma mansoni ap endonuclease 0.0019 0.0223 0.1147
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.093 0.5437
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0158 0.0428
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0103 0.0123
Brugia malayi hypothetical protein 0.003 0.0522 0.0877
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0198 0.5237 0.5128
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0198 0.5237 0.8153
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0158 0.0752
Plasmodium vivax SET domain protein, putative 0.003 0.0537 1
Schistosoma mansoni hypothetical protein 0.0012 0.0035 0.0002
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0223 0.0339
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0757 0.4385
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0198 0.5237 0.5128
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0223 0.0268
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0223 0.0352
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0537 0.305
Brugia malayi hypothetical protein 0.0038 0.0757 0.1298
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0223 0.1147
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0223 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0158 0.0752
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0757 0.4385
Schistosoma mansoni hypothetical protein 0.0017 0.0158 0.0747
Leishmania major hypothetical protein, conserved 0.0061 0.14 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0223 0.093
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0158 0.0222
Schistosoma mansoni cytochrome P450 0.0015 0.0103 0.0415
Schistosoma mansoni hypothetical protein 0.0017 0.0158 0.0747
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0158 0.0221
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0537 0.305
Brugia malayi isocitrate dehydrogenase 0.0017 0.0158 0.0222
Echinococcus granulosus Chromo domain 0.0012 0.0035 0.0002
Entamoeba histolytica hypothetical protein 0.0038 0.0757 0.0546
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0158 0.0747
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0223 0.0235
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.093 0.5437
Entamoeba histolytica hypothetical protein 0.0038 0.0757 0.0546
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0757 0.4385
Schistosoma mansoni hypothetical protein 0.0017 0.0158 0.0747
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0158 0.0747
Trypanosoma cruzi hypothetical protein, conserved 0.0061 0.14 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0158 0.0752
Brugia malayi Cytochrome P450 family protein 0.0015 0.0103 0.0122
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0198 0.5237 0.5128
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0137 0.3527 1
Brugia malayi Pre-SET motif family protein 0.021 0.5595 1
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0103 0.0415
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0522 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0522 0.9727
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0158 0.2948
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0522 0.9727
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0537 0.305
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0158 0.0221
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0158 0.0752
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0537 0.305
Schistosoma mansoni helicase 0.0071 0.1682 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0158 0.0747
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.093 0.5437
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.093 0.5437
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0061 0.14 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0223 0.093
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0158 0.0428
Giardia lamblia DNA repair protein RAD52 0.0367 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0537 1
Brugia malayi Cytochrome P450 family protein 0.0015 0.0103 0.0122
Loa Loa (eye worm) hypothetical protein 0.0017 0.0158 0.0221
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0223 0.1147
Loa Loa (eye worm) BRM protein 0.0037 0.072 0.1232
Loa Loa (eye worm) hypothetical protein 0.003 0.0522 0.0877
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0522 0.3234
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0198 0.5237 0.9356
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1168 0.2038
Loa Loa (eye worm) hypothetical protein 0.0036 0.07 0.1197
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.093 0.5437
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.093 0.5437
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1168 0.2038
Brugia malayi Cytochrome P450 family protein 0.0015 0.0103 0.0122
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.07 0.1197
Toxoplasma gondii exonuclease III APE 0.0019 0.0223 0.4161
Toxoplasma gondii cytochrome p450 superfamily protein 0.0015 0.0103 0.1914
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0198 0.5237 0.8153
Entamoeba histolytica hypothetical protein 0.0038 0.0757 0.0546
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0063 0.0174

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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