Detailed information for compound 1832316

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.329 | Formula: C15H10N4O5S
  • H donors: 3 H acceptors: 5 LogP: 1.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)NC(=O)NS(=O)(=O)c1ccc2c(c1)oc(=O)[nH]2
  • InChi: 1S/C15H10N4O5S/c16-8-9-2-1-3-10(6-9)17-14(20)19-25(22,23)11-4-5-12-13(7-11)24-15(21)18-12/h1-7H,(H,18,21)(H2,17,19,20)
  • InChiKey: BDLIABSIEVMXPU-UHFFFAOYSA-N  

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) transcription factor SMAD2 0.0116 0.4658 0.4022
Echinococcus granulosus carbonic anhydrase 0.0092 0.3107 0.2287
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.009 0.2982 0.2925
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0166 0.8014 1
Echinococcus multilocularis carbonic anhydrase 0.0092 0.3107 0.2287
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.306 0.3818
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1064 0.0992
Schistosoma mansoni carbonic anhydrase-related 0.0092 0.3107 0.3052
Echinococcus multilocularis carbonic anhydrase 0.0092 0.3107 0.2287
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.306 0.3004
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0166 0.8014 1
Onchocerca volvulus 0.0146 0.6693 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1064 0.0992
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.306 0.0111
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.009 0.2982 0.2146
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0098 0.3514 0.4385
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0092 0.3107 0.2287
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.306 0.3818
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0098 0.3514 1
Mycobacterium ulcerans lysophospholipase 0.0166 0.8014 1
Trichomonas vaginalis conserved hypothetical protein 0.0166 0.8014 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.009 0.2982 0.2146
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.009 0.2982 0.2919
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.009 0.2982 0.2146
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0092 0.3107 0.2287
Leishmania major monoglyceride lipase, putative 0.0166 0.8014 0.717
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0166 0.8014 0.5
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.009 0.2982 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0166 0.8014 0.717
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0092 0.3107 0.2287
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0098 0.3514 0.4385
Schistosoma mansoni carbonic anhydrase-related 0.0092 0.3107 0.3052
Brugia malayi glucose-6-phosphate dehydrogenase 0.009 0.2982 0.2146
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.306 0.3818
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.306 0.2233
Toxoplasma gondii hypothetical protein 0.0092 0.3107 0.8438
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.306 0.2233
Loa Loa (eye worm) hypothetical protein 0.0092 0.3107 0.2287
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.306 0.3818
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0166 0.8014 1
Trypanosoma brucei polo-like protein kinase 0.0092 0.306 0.0111
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0098 0.3514 0.4385
Echinococcus multilocularis carbonic anhydrase 0.0092 0.3107 0.2287
Mycobacterium tuberculosis Possible lysophospholipase 0.0166 0.8014 0.5
Schistosoma mansoni carbonic anhydrase 0.0092 0.3107 0.3052
Echinococcus granulosus carbonic anhydrase 0.0092 0.3107 0.2287
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.306 0.3818
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0166 0.8014 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.306 0.0111
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.009 0.2982 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1064 0.0992
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0092 0.3107 0.2287
Plasmodium falciparum lysophospholipase, putative 0.0166 0.8014 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0098 0.3514 0.1058
Brugia malayi MH2 domain containing protein 0.0116 0.4658 0.4022
Loa Loa (eye worm) hypothetical protein 0.0146 0.6693 0.6299
Trypanosoma brucei monoglyceride lipase, putative 0.0166 0.8014 0.717
Loa Loa (eye worm) hypothetical protein 0.0092 0.3107 0.2287
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0166 0.8014 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1064 0.0992
Plasmodium falciparum carbonic anhydrase 0.0092 0.3107 0.0249
Trypanosoma cruzi monoglyceride lipase, putative 0.0166 0.8014 0.717
Trichomonas vaginalis conserved hypothetical protein 0.0166 0.8014 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.306 0.3818
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.306 0.2233
Mycobacterium ulcerans hypothetical protein 0.0166 0.8014 1
Schistosoma mansoni carbonic anhydrase-related 0.0092 0.3107 0.3052
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.4658 0.4022
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0098 0.3514 1
Echinococcus granulosus carbonic anhydrase 0.0092 0.3107 0.2287
Plasmodium falciparum lysophospholipase, putative 0.0166 0.8014 1
Brugia malayi hypothetical protein 0.0146 0.6693 0.6299
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0166 0.8014 1
Plasmodium vivax PST-A protein 0.0166 0.8014 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0166 0.8014 1
Schistosoma mansoni hypothetical protein 0.0092 0.3107 0.3052
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.306 0.0111
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1064 0.0992
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.306 0.3818
Loa Loa (eye worm) hypothetical protein 0.0092 0.3107 0.2287
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0166 0.8014 1
Plasmodium falciparum lysophospholipase, putative 0.0166 0.8014 1
Plasmodium falciparum esterase, putative 0.0166 0.8014 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.306 0.2233
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0092 0.3107 0.2287
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0092 0.3107 0.2287

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay ChEMBL. 24412070
IC50 (binding) > 100 uM Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay ChEMBL. 24412070
IC50 (binding) > 100 uM Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay ChEMBL. 24412070

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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