Detailed information for compound 451038

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 291.352 | Formula: C11H9N5OS2
  • H donors: 1 H acceptors: 1 LogP: 1.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nsc2=NC(=O)/C(=C\c3ccc[nH]3)/C(=N)n12
  • InChi: 1S/C11H9N5OS2/c1-18-11-15-19-10-14-9(17)7(8(12)16(10)11)5-6-3-2-4-13-6/h2-5,12-13H,1H3/b7-5-,12-8?
  • InChiKey: OSZAKJXMCDZFRE-BDWMUDNWSA-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 0.0169 0.033 1
Schistosoma mansoni hypothetical protein 0.0084 0.0133 0.0136
Echinococcus multilocularis cpg binding protein 0.0033 0.0017 0.0002
Plasmodium falciparum phd finger protein, putative 0.0033 0.0015 0.012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0058 0.0049
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0007 0.0714
Leishmania major DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0058 0.0043
Schistosoma mansoni cpg binding protein 0.0033 0.0017 0.0002
Echinococcus granulosus geminin 0.0189 0.0378 0.0363
Schistosoma mansoni serine-rich repeat protein 0.0084 0.0133 0.0136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0058 0.0049
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.0038 0.0023
Loa Loa (eye worm) kinesin-like protein KLP2 0.0564 0.1246 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.016 0.0311 0.2464
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0038 0.0304
Loa Loa (eye worm) hypothetical protein 0.0033 0.0015 0.0082
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0285 0.0599 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0057 0.0421
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0093 0.0155 0.1206
Entamoeba histolytica kinesin, putative 0.0564 0.1246 1
Schistosoma mansoni hypothetical protein 0.011 0.0193 0.0205
Schistosoma mansoni hypothetical protein 0.0051 0.0057 0.0048
Brugia malayi TAR-binding protein 0.0071 0.0103 0.0794
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0017 0.0099
Brugia malayi Calcitonin receptor-like protein seb-1 0.016 0.0311 0.2464
Echinococcus granulosus GPCR family 2 0.0051 0.0057 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0103 0.0102
Brugia malayi Bromodomain containing protein 0.0033 0.0015 0.0082
Echinococcus granulosus L aminoadipate semialdehyde 0.0093 0.0155 0.014
Plasmodium vivax kinesin-5 0.0564 0.1246 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.0248 0.1961
Brugia malayi hypothetical protein 0.0169 0.033 0.2621
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0057 0.0042
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0103 0.0794
Toxoplasma gondii kinesin motor domain-containing protein 0.0564 0.1246 1
Brugia malayi CXXC zinc finger family protein 0.0033 0.0017 0.0099
Plasmodium falciparum kinesin-5 0.0564 0.1246 1
Schistosoma mansoni hypothetical protein 0.3779 0.8693 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0038 0.3381
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0029 0.0014
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0044 0.003
Brugia malayi Kinesin motor domain containing protein 0.0564 0.1246 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0038 0.0631
Onchocerca volvulus 0.0033 0.0017 0.0067
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0285 0.0599 1
Giardia lamblia DINP protein human, muc B family 0.0042 0.0038 0.0186
Schistosoma mansoni cpg binding protein 0.0033 0.0017 0.0002
Echinococcus granulosus dna polymerase eta 0.007 0.0103 0.0088
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0095 0.0729
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0044 0.003
Brugia malayi MH2 domain containing protein 0.0133 0.0248 0.1961
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0038 0.3381
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0057 0.0042
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0038 0.3381
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0007 0.0714
Loa Loa (eye worm) hypothetical protein 0.016 0.0311 0.2464
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0093 0.0155 0.0161
Trypanosoma cruzi DNA polymerase eta, putative 0.007 0.0103 1
Schistosoma mansoni hypothetical protein 0.0051 0.0057 0.0048
Brugia malayi RNA binding protein 0.0071 0.0103 0.0794
Brugia malayi PHD-finger family protein 0.0033 0.0015 0.0082
Onchocerca volvulus 0.0093 0.0155 0.4427
Echinococcus multilocularis geminin 0.0189 0.0378 0.0363
Loa Loa (eye worm) hypothetical protein 0.0038 0.0029 0.0193
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0103 0.0794
Echinococcus multilocularis L aminoadipate semialdehyde 0.0093 0.0155 0.014
Loa Loa (eye worm) hypothetical protein 0.0169 0.033 0.2621
Echinococcus granulosus cpg binding protein 0.0033 0.0017 0.0002
Echinococcus multilocularis kinesin family 1 0.4343 1 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0103 0.0102
Loa Loa (eye worm) hypothetical protein 0.0093 0.0155 0.1206
Leishmania major DNA polymerase eta, putative 0.0041 0.0035 0.34
Schistosoma mansoni hypothetical protein 0.0189 0.0378 0.0418
Schistosoma mansoni hypothetical protein 0.0189 0.0378 0.0418
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0107 0.0186 0.0172
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0103 0.0089
Giardia lamblia Kinesin-5 0.0564 0.1246 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0038 0.0026
Echinococcus granulosus dna polymerase kappa 0.0042 0.0038 0.0023
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0005 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0015 0.012
Loa Loa (eye worm) RNA binding protein 0.0071 0.0103 0.0794
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0038 0.3684
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0103 0.0794
Echinococcus granulosus tar DNA binding protein 0.0071 0.0103 0.0089
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0103 0.0102
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0057 0.0421
Schistosoma mansoni kinesin eg-5 0.0564 0.1246 0.1419
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0285 0.0599 0.4809
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0057 0.0421
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0084 0.0135 0.1085
Leishmania major hypothetical protein, conserved 0.0028 0.0005 0.0459
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0031 0.0016
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0038 0.3684
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0029 0.0016
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.0248 0.1961
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0057 0.0421
Loa Loa (eye worm) hypothetical protein 0.0072 0.0106 0.0813
Echinococcus multilocularis dna polymerase eta 0.007 0.0103 0.0088
Schistosoma mansoni jumonji domain containing protein 0.0085 0.0136 0.0139
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0107 0.0186 0.0172
Loa Loa (eye worm) hypothetical protein 0.007 0.0103 0.0789
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0035 0.3083
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0015 0.012
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0057 0.0042
Echinococcus granulosus disco interacting protein 2 0.0038 0.0029 0.0014
Echinococcus multilocularis GPCR, family 2 0.0051 0.0057 0.0042
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0038 0.3684
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0058 0.0043
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.0193 0.1518
Schistosoma mansoni cpg binding protein 0.0033 0.0017 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0007 0.0714
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0038 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Trypanosoma brucei DNA polymerase eta, putative 0.007 0.0103 1
Brugia malayi ImpB/MucB/SamB family protein 0.007 0.0103 0.0789
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.0035 0.028
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.0038 0.5
Brugia malayi jmjC domain containing protein 0.0039 0.0031 0.021
Brugia malayi Cache domain containing protein 0.0072 0.0106 0.0813
Schistosoma mansoni DNA polymerase eta 0.007 0.0103 0.0101
Trypanosoma brucei unspecified product 0.0029 0.0007 0.0714
Toxoplasma gondii hypothetical protein 0.0084 0.0135 0.1085
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.0038 0.0267
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0285 0.0599 0.4809
Loa Loa (eye worm) pigment dispersing factor receptor c 0.016 0.0311 0.2464
Trypanosoma brucei unspecified product 0.0029 0.0007 0.0714
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0038 0.0631
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0155 0.0299 0.0328
Trypanosoma brucei unspecified product 0.0042 0.0038 0.3684
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0058 0.0428
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0038 0.0631
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0285 0.0599 1
Schistosoma mansoni hypothetical protein 0.0051 0.0057 0.0048
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0162 0.0315 0.03
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0057 0.0042
Echinococcus granulosus voltage dependent calcium channel subunit 0.0356 0.0764 0.0751
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0058 0.0049
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0005 0.0038
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0058 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0103 0.0102
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0031 0.0018
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0005 0.0459
Leishmania major DNA polymerase eta, putative 0.007 0.0103 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0103 0.0102
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0005 0.0038
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0031 0.021
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0038 0.3381
Brugia malayi Disco-interacting protein 2 homolog 0.0038 0.0029 0.0193
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.0038 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.0038 0.0026
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0356 0.0764 0.0751
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0038 0.3684
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0038 0.3684
Loa Loa (eye worm) hypothetical protein 0.011 0.0193 0.1518
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0031 0.0016
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.0038 0.0023
Onchocerca volvulus 0.0038 0.0029 0.0435
Loa Loa (eye worm) hypothetical protein 0.0056 0.0069 0.0516
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0015 0.012
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0031 0.0018
Echinococcus granulosus voltage dependent calcium channel subunit 0.0162 0.0315 0.03
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0078 0.0121 0.0122
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0058 0.0428
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0058 0.0043
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0038 0.0267
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0042 0.0038 0.0631
Treponema pallidum hypothetical protein 0.0285 0.0599 1
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0005 0.0038
Schistosoma mansoni hypothetical protein 0.0051 0.0057 0.0048
Brugia malayi jmjC domain containing protein 0.0107 0.0186 0.1463
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0015 0.0082

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 202.1 % Inhibition of transthyretin amyloidosis assessed as fibril formation pH 4.4 at 100 uM ChEMBL. 17948976
Activity (functional) = 202.1 % Inhibition of transthyretin amyloidosis assessed as fibril formation pH 4.4 at 100 uM ChEMBL. 17948976
Inhibition (functional) = 0 % Inhibition of transthyretin fibril formation at pH 4.4 at 100 uM ChEMBL. 17948976
Inhibition (functional) = 0 % Inhibition of transthyretin fibril formation at pH 4.4 at 100 uM ChEMBL. 17948976

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

1 literature reference was collected for this gene.

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