Detailed information for compound 1514151

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.445 | Formula: C18H13N3OS2
  • H donors: 1 H acceptors: 3 LogP: 3.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc2c(c1)nc(c(n2)c1cccs1)c1cccs1
  • InChi: 1S/C18H13N3OS2/c1-11(22)19-12-6-7-13-14(10-12)21-18(16-5-3-9-24-16)17(20-13)15-4-2-8-23-15/h2-10H,1H3,(H,19,22)
  • InChiKey: ADTAEPULJXDQNF-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) hypothetical protein 0.0028 0.1159 0.1159
Schistosoma mansoni intermediate filament proteins 0.0028 0.1159 0.2432
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0125 0.1251
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0099
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0042 0.2433 0.2433
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0125 0.0006
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0125 0.0125
Brugia malayi Bromodomain containing protein 0.0077 0.5603 0.5603
Echinococcus multilocularis lamin 0.0028 0.1159 0.2548
Loa Loa (eye worm) hypothetical protein 0.0044 0.261 0.261
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0125 0.1251
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0125 0.1251
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0099
Schistosoma mansoni hypothetical protein 0.0021 0.0572 0.1112
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0125 0.0006
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0125 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.1159 0.1159
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0449 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1817 0.1817
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0241 0.0366
Leishmania major DNA polymerase eta, putative 0.002 0.0449 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0449 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0449 0.0803
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0125 0.0104
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0099
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0449 0.0834
Echinococcus multilocularis zinc finger protein 0.002 0.0475 0.0866
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0449 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0125 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0125 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0123 0.0123
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0099
Echinococcus granulosus lamin dm0 0.0028 0.1159 0.2548
Brugia malayi isocitrate dehydrogenase 0.0016 0.0125 0.0125
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.2896 0.2896
Echinococcus granulosus intermediate filament protein 0.0028 0.1159 0.2548
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0125 0.1251
Loa Loa (eye worm) hypothetical protein 0.0027 0.1113 0.1113
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.2896 0.2896
Echinococcus multilocularis musashi 0.0028 0.1159 0.2548
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.4188 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0449 1
Echinococcus multilocularis dna polymerase kappa 0.002 0.0449 0.0803
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0241 0.0366
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0125 0.0006
Schistosoma mansoni bromodomain containing protein 0.0065 0.4519 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0449 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.1159 0.1159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2896 0.6345
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2896 0.6345
Trypanosoma brucei unspecified product 0.002 0.0449 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0449 0.0449
Loa Loa (eye worm) hypothetical protein 0.0051 0.3276 0.3276
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0449 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0449 0.0449
Loa Loa (eye worm) hypothetical protein 0.0035 0.1817 0.1817
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1988 0.4589
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2896 0.6822
Echinococcus granulosus lamin 0.0028 0.1159 0.2548
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0449 0.0449
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0241 0.0291
Brugia malayi intermediate filament protein 0.0028 0.1159 0.1159
Schistosoma mansoni DNA polymerase eta 0.002 0.0449 0.0834
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0125 0.0006
Loa Loa (eye worm) hypothetical protein 0.0017 0.0241 0.0241
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0125 0.0006
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0449 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0449 0.0449
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0241 0.0366
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0123 0.0123
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0241 0.0366
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0449 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0241 0.0291
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0449 0.0834
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0449 0.0803
Echinococcus granulosus dna polymerase eta 0.002 0.0449 0.0803
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0449 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0123 0.0123
Loa Loa (eye worm) intermediate filament protein 0.0028 0.1159 0.1159
Schistosoma mansoni lamin 0.0028 0.1159 0.2432
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Schistosoma mansoni zinc finger protein 0.002 0.0475 0.0891
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.4188 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0749 0.151
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2896 0.6822
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0749 0.1541
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0449 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0449 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0241 0.0291
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0449 0.5
Brugia malayi PHD-finger family protein 0.0025 0.0968 0.0968
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0298 0.0298
Schistosoma mansoni lamin 0.0028 0.1159 0.2432
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0125 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.3276 0.3276
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0449 1
Echinococcus multilocularis dna polymerase eta 0.002 0.0449 0.0803
Echinococcus granulosus zinc finger protein 0.002 0.0475 0.0866
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0749 0.1541
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0125 0.0006
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1988 0.4589
Schistosoma mansoni hypothetical protein 0.0035 0.1817 0.3914
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Giardia lamblia DINP protein human, muc B family 0.002 0.0449 0.5
Echinococcus multilocularis lamin dm0 0.0028 0.1159 0.2548
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.3276 0.3276
Leishmania major DNA polymerase kappa, putative 0.002 0.0449 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0123 0.0123
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0125 0.1251
Brugia malayi Bromodomain containing protein 0.0039 0.2207 0.2207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2896 0.6345
Loa Loa (eye worm) hypothetical protein 0.0072 0.5208 0.5208
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0449 0.5
Echinococcus granulosus dna polymerase kappa 0.002 0.0449 0.0803
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0449 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.3276 0.3276
Loa Loa (eye worm) hypothetical protein 0.0039 0.2214 0.2214
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2896 0.6822
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0449 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0449 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0449 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0572 0.0572
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2896 0.6822
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0241 0.0291

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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