Detailed information for compound 134861

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 244.269 | Formula: C12H8N2O2S
  • H donors: 1 H acceptors: 2 LogP: 1.83 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1onc(c1/C=C/1\C=CC=N1)c1cccs1
  • InChi: 1S/C12H8N2O2S/c15-12-9(7-8-3-1-5-13-8)11(14-16-12)10-4-2-6-17-10/h1-7,15H/b8-7+
  • InChiKey: HJAKFRATPKFIOZ-BQYQJAHWSA-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
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.1042 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0041 0.1035 0.1035
Brugia malayi beta-lactamase family protein 0.0041 0.1035 0.155
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.1042 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0306 0.2939
Plasmodium falciparum importin beta, putative 0.0031 0.0698 0.67
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0306 0.0306
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0306 0.0306
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.1035 0.1035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0732 0.0732
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0114 0.3326 0.3326
Brugia malayi Pre-SET motif family protein 0.0221 0.6676 1
Onchocerca volvulus 0.0032 0.0732 0.0959
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0698 0.67
Mycobacterium leprae Probable lipase LipE 0.0041 0.1035 0.5
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0306 0.0459
Plasmodium vivax SET domain protein, putative 0.0032 0.0732 0.7026
Schistosoma mansoni smad 0.0009 0.003 0.003
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0306 0.0306
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.1035 0.1035
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.1042 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0698 0.67
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0306 0.0306
Mycobacterium tuberculosis Conserved protein 0.0041 0.1035 0.1288
Loa Loa (eye worm) hypothetical protein 0.0041 0.1035 0.1035
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0444 0.4263
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0306 0.2939
Brugia malayi MH2 domain containing protein 0.0009 0.003 0.0045
Schistosoma mansoni Smad4 0.0009 0.003 0.003
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.1042 0.1042
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.1035 0.1288
Schistosoma mansoni importin beta-1 0.0031 0.0698 0.0698
Brugia malayi Smad1 0.0009 0.003 0.0045
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.1042 0.1364
Leishmania major GTP-binding protein, putative 0.0023 0.0444 0.4263
Brugia malayi MH2 domain containing protein 0.0137 0.4041 0.6053
Echinococcus granulosus importin subunit beta 1 0.0031 0.0698 0.0698
Onchocerca volvulus 0.0041 0.1035 0.1355
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.003 0.003
Onchocerca volvulus 0.0041 0.1035 0.1355
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0041 0.1035 0.1035
Mycobacterium tuberculosis Conserved protein 0.0041 0.1035 0.1288
Mycobacterium leprae conserved hypothetical protein 0.0041 0.1035 0.5
Brugia malayi MH2 domain containing protein 0.0009 0.003 0.0045
Echinococcus multilocularis solute carrier family 28 0.0175 0.5241 0.5241
Brugia malayi Pre-SET motif family protein 0.0032 0.0732 0.1096
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.1035 0.1288
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.2911 0.2911
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0732 0.0732
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.4041 0.4041
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0732 0.0732
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0444 0.4263
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0695 0.0695
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.1042 0.1364
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0306 0.0306
Echinococcus multilocularis smad 0.0009 0.003 0.003
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.1035 0.1035
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1035 0.9933
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0306 0.2939
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0698 0.67
Brugia malayi beta-lactamase 0.0041 0.1035 0.155
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.1035 0.1355
Mycobacterium tuberculosis Conserved protein 0.0041 0.1035 0.1288
Brugia malayi RNA, U transporter 1 0.0087 0.247 0.3701
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0306 0.0306
Echinococcus granulosus Smad4 0.0009 0.003 0.003
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0306 0.2939
Brugia malayi Importin beta-1 subunit 0.0031 0.0698 0.1045
Schistosoma mansoni ap endonuclease 0.0042 0.1042 0.1042
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0306 0.2939
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0444 0.0665
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0698 0.0698
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0175 0.5241 0.5241
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0444 0.4263
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0516 0.0676
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0306 0.2939
Plasmodium vivax importin-beta 2, putative 0.0031 0.0698 0.67
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.003 0.003
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0042 0.1042 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0732 0.0732
Echinococcus granulosus smad 0.0009 0.003 0.003
Echinococcus granulosus solute carrier family 28 0.0175 0.5241 0.5241
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0444 0.4263
Loa Loa (eye worm) hypothetical protein 0.0031 0.0698 0.0698
Brugia malayi beta-lactamase family protein 0.0041 0.1035 0.155
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0444 0.0444
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.003 0.003
Leishmania major importin beta-1 subunit, putative 0.0025 0.0516 0.4954
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0732 0.7026
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.003
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.003 0.003
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.1035 0.1035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.2911 0.2911
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.003 0.003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.2911 0.2911
Schistosoma mansoni ran 0.0023 0.0444 0.0444
Treponema pallidum exodeoxyribonuclease (exoA) 0.0042 0.1042 1
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0175 0.5241 0.5241
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0444 0.4263
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.1035 0.9933
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.1035 0.1035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.2911 0.2911
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.003 0.003
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1035 0.9933
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0042 0.1042 1
Plasmodium vivax hypothetical protein, conserved 0.0041 0.1035 0.9933
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.2911 0.436
Echinococcus multilocularis snurportin 1 0.0327 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.1042 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.003
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.1035 0.1288
Leishmania major hypothetical protein, conserved 0.0041 0.1035 0.9933
Echinococcus multilocularis Smad4 0.0009 0.003 0.003
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.1042 0.156
Loa Loa (eye worm) hypothetical protein 0.0041 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0032 0.0732 0.0732
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.1042 1
Trichomonas vaginalis set domain proteins, putative 0.0251 0.7634 1
Schistosoma mansoni ap endonuclease 0.0042 0.1042 0.1042
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.1035 0.1288
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.003 0.003
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.4041 0.4041
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0444 0.4263
Entamoeba histolytica hypothetical protein 0.0025 0.0516 0.4954
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0732 0.0732
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0175 0.5241 0.5241
Brugia malayi isocitrate dehydrogenase 0.0018 0.0306 0.0459
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0516 0.0676
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0327 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.6676 0.6676
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0264 0.803 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1035 0.1035
Brugia malayi MH1 domain containing protein 0.0009 0.003 0.0045
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.1042 0.1042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0732 0.0732
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0444 0.4263
Schistosoma mansoni ran 0.0023 0.0444 0.0444
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.1035 0.1288
Loa Loa (eye worm) beta-lactamase 0.0041 0.1035 0.1035
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.003
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0444 0.0444
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0732 0.0732
Toxoplasma gondii ABC1 family protein 0.0041 0.1035 0.9933
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.1042 0.1042
Toxoplasma gondii exonuclease III APE 0.0042 0.1042 1
Brugia malayi MH1 domain containing protein 0.0009 0.003 0.0045
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0516 0.4954
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.1035 0.155
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0516 0.0676
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1035 0.1355
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.1042 0.1297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2911 0.2911
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.1042 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2911 0.2911
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0306 0.2939
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.1035 0.1288
Schistosoma mansoni hypothetical protein 0.0327 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0306 0.2939
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.1042 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2911 0.2911
Trichomonas vaginalis esterase, putative 0.0041 0.1035 0.1355
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0306 0.2939
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.2911 0.2911
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.1042 1
Loa Loa (eye worm) Smad1 0.0009 0.003 0.003
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1035 0.1355
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.1035 0.1288
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1035 0.1355
Onchocerca volvulus 0.0041 0.1035 0.1355
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0444 0.0444
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.1035 0.1355
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0306 0.0306
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0306 0.0381
Entamoeba histolytica Ran family GTPase 0.0023 0.0444 0.4263
Trichomonas vaginalis ran, putative 0.0023 0.0444 0.0582
Onchocerca volvulus 0.0251 0.7634 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 8.9 % Inhibitory activity against protein kinase C from Jurkat cells. ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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