Detailed information for compound 107820

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.45 | Formula: C17H16N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 3.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(S(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)cccc2
  • InChi: 1S/C17H16N2O4S2/c1-19(25(22,23)16-9-3-2-4-10-16)18-24(20,21)17-12-11-14-7-5-6-8-15(14)13-17/h2-13,18H,1H3
  • InChiKey: KIGGCMUDXNDPEZ-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
Brugia malayi Animal haem peroxidase family protein 0.1314 0.5483 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0217 0.0028 0.0005
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0217 0.0028 0.001
Loa Loa (eye worm) hypothetical protein 0.0292 0.0404 0.0698
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Onchocerca volvulus 0.1314 0.5483 1
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Echinococcus multilocularis protein kinase c epsilon type 0.0398 0.0931 0.091
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.2223 1 1
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0217 0.0028 0.0045
Entamoeba histolytica protein kinase, putative 0.0216 0.0023 0.5
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0217 0.0028 0.0005
Echinococcus multilocularis lipoxygenase domain containing protein 0.0372 0.0798 0.0777
Onchocerca volvulus 0.0372 0.0798 0.1411
Echinococcus multilocularis sodium and chloride dependent glycine 0.0217 0.0028 0.0005
Brugia malayi Animal haem peroxidase family protein 0.1314 0.5483 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0217 0.0028 0.0005
Loa Loa (eye worm) hypothetical protein 0.0372 0.0798 0.1419
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.1343 0.5628 0.5618
Echinococcus granulosus lipoxygenase domain containing protein 0.0372 0.0798 0.0777
Echinococcus granulosus protein kinase c epsilon type 0.0398 0.0931 0.091
Entamoeba histolytica protein kinase, putative 0.0216 0.0023 0.5
Brugia malayi Animal haem peroxidase family protein 0.1314 0.5483 1
Plasmodium falciparum LCCL domain-containing protein 0.0372 0.0798 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0217 0.0028 0.0045
Loa Loa (eye worm) hypothetical protein 0.0217 0.0028 0.001
Loa Loa (eye worm) doublecortin family protein 0.0372 0.0798 0.1419
Loa Loa (eye worm) hypothetical protein 0.0217 0.0028 0.001
Loa Loa (eye worm) animal heme peroxidase 0.1314 0.5483 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0217 0.0028 0.0005
Schistosoma mansoni atypical protein kinase C 0.0368 0.0781 0.076
Echinococcus granulosus protein kinase c iota type 0.0368 0.0781 0.076
Loa Loa (eye worm) hypothetical protein 0.0217 0.0028 0.001
Brugia malayi Animal haem peroxidase family protein 0.1314 0.5483 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.1277 0.5298 0.9662
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0217 0.0028 0.0005
Brugia malayi Doublecortin family protein 0.0372 0.0798 0.1419
Loa Loa (eye worm) solute carrier family 6 member 4 0.1277 0.5298 0.9662
Brugia malayi hypothetical protein 0.0217 0.0028 0.001
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Onchocerca volvulus 0.0372 0.0798 0.1411
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0217 0.0028 0.0005
Echinococcus multilocularis peroxidasin 0.1314 0.5483 0.5473
Echinococcus granulosus microsomal glutathione S transferase 3 0.0452 0.1196 0.1176
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0217 0.0028 0.0005
Schistosoma mansoni sodium/chloride dependent transporter 0.0217 0.0028 0.0005
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Schistosoma mansoni microsomal glutathione s-transferase 0.0452 0.1196 0.1176
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0217 0.0028 0.0005
Onchocerca volvulus Peroxidase homolog 0.1314 0.5483 1
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Onchocerca volvulus Peroxidase homolog 0.1314 0.5483 1
Brugia malayi Animal haem peroxidase family protein 0.1314 0.5483 1
Toxoplasma gondii hypothetical protein 0.0217 0.0028 0.0045
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0217 0.0028 0.0005
Entamoeba histolytica protein kinase, putative 0.0216 0.0023 0.5
Brugia malayi hypothetical protein 0.0372 0.0798 0.1419
Schistosoma mansoni polycystin 1-related 0.0372 0.0798 0.0777
Schistosoma mansoni serine/threonine protein kinase 0.0398 0.0931 0.091
Loa Loa (eye worm) hypothetical protein 0.1277 0.5298 0.9662
Echinococcus multilocularis serine threonine protein kinase 0.1191 0.487 0.4858
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0217 0.0028 0.0005
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0217 0.0028 0.0045
Brugia malayi protein kinase C II. 0.0398 0.0931 0.1662
Loa Loa (eye worm) serotonin transporter b 0.1277 0.5298 0.9662
Loa Loa (eye worm) hypothetical protein 0.0372 0.0798 0.1419
Loa Loa (eye worm) hypothetical protein 0.0217 0.0028 0.001
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0398 0.0931 0.1662
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Loa Loa (eye worm) hypothetical protein 0.0945 0.3648 0.664
Loa Loa (eye worm) hypothetical protein 0.1277 0.5298 0.9662
Schistosoma mansoni rab6-interacting 0.0372 0.0798 0.0777
Onchocerca volvulus 0.1314 0.5483 1
Echinococcus granulosus peroxidasin 0.1314 0.5483 0.5473
Schistosoma mansoni lipoxygenase 0.1554 0.6675 0.6667
Brugia malayi Blistered cuticle protein 3 0.1314 0.5483 1
Loa Loa (eye worm) blistered cuticle protein 3 0.1314 0.5483 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0945 0.3648 0.3634
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1277 0.5298 0.5288
Schistosoma mansoni serine/threonine protein kinase 0.1343 0.5628 0.5618
Onchocerca volvulus Peroxidasin homolog 0.1314 0.5483 1
Loa Loa (eye worm) hypothetical protein 0.0217 0.0028 0.001
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0217 0.0028 0.5
Onchocerca volvulus Dual oxidase homolog 0.1314 0.5483 1
Schistosoma mansoni hypothetical protein 0.0372 0.0798 0.0777
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0217 0.0028 0.001
Schistosoma mansoni sodium/chloride dependent transporter 0.1277 0.5298 0.5288
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Brugia malayi hypothetical protein 0.0372 0.0798 0.1419
Echinococcus multilocularis RNA directed DNA polymerase 0.0945 0.3648 0.3634
Loa Loa (eye worm) hypothetical protein 0.1097 0.4406 0.8028
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0217 0.0028 0.0005
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Brugia malayi Peroxidasin 0.1314 0.5483 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0217 0.0028 0.0005
Echinococcus multilocularis Polycystic kidney disease protein 0.0372 0.0798 0.0777
Echinococcus multilocularis protein kinase c iota type 0.0368 0.0781 0.076
Loa Loa (eye worm) hypothetical protein 0.0356 0.0718 0.1273
Echinococcus multilocularis serotonin transporter 0.1277 0.5298 0.5288
Entamoeba histolytica protein kinase, putative 0.0216 0.0023 0.5
Loa Loa (eye worm) animal heme peroxidase 0.1314 0.5483 1
Schistosoma mansoni peroxidasin 0.1314 0.5483 0.5473
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0452 0.1196 0.1176
Schistosoma mansoni sodium/chloride dependent transporter 0.0221 0.0052 0.0028
Schistosoma mansoni rab6-interacting 0.0372 0.0798 0.0777
Echinococcus granulosus Polycystic kidney disease protein 0.0372 0.0798 0.0777
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0217 0.0028 0.0005
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Schistosoma mansoni loxhd1 0.0372 0.0798 0.0777
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0217 0.0028 0.0005
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Schistosoma mansoni peroxidasin 0.1314 0.5483 0.5473
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Toxoplasma gondii MAPEG family protein 0.0452 0.1196 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0216 0.0023 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1343 0.5628 0.5618
Echinococcus granulosus RNA directed DNA polymerase 0.0945 0.3648 0.3634
Loa Loa (eye worm) hypothetical protein 0.0217 0.0028 0.001
Echinococcus granulosus protein kinase C gamma type 0.1191 0.487 0.4858
Treponema pallidum sodium- and chloride- dependent transporter 0.1277 0.5298 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0217 0.0028 0.0005
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.1971 0.875 0.8747
Toxoplasma gondii hypothetical protein 0.0217 0.0028 0.0045
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Loa Loa (eye worm) animal heme peroxidase 0.1314 0.5483 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0372 0.0798 0.0777
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0217 0.0028 0.0005
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0217 0.0028 0.001
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Onchocerca volvulus 0.1314 0.5483 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0372 0.0798 0.0777
Loa Loa (eye worm) hypothetical protein 0.1314 0.5483 1
Echinococcus granulosus serotonin transporter 0.1277 0.5298 0.5288
Onchocerca volvulus Peroxidasin homolog 0.1314 0.5483 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0217 0.0028 0.001
Brugia malayi hypothetical protein 0.1314 0.5483 1
Echinococcus multilocularis RUN 0.0372 0.0798 0.0777
Brugia malayi Protein kinase c protein 2 0.1132 0.4579 0.8344
Echinococcus granulosus sodium and chloride dependent glycine 0.0217 0.0028 0.0005
Loa Loa (eye worm) norepinephrine transporter 0.1277 0.5298 0.9662
Onchocerca volvulus Chorion peroxidase homolog 0.1314 0.5483 1
Trichomonas vaginalis AGC family protein kinase 0.0216 0.0023 1
Loa Loa (eye worm) hypothetical protein 0.0217 0.0028 0.001
Loa Loa (eye worm) animal heme peroxidase 0.1314 0.5483 1
Schistosoma mansoni lipoxygenase 0.2223 1 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0217 0.0028 0.0005
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0217 0.0028 0.001
Onchocerca volvulus 0.1277 0.5298 0.9661
Echinococcus granulosus Protein kinase C brain isozyme 0.1343 0.5628 0.5618
Echinococcus granulosus RUN 0.0372 0.0798 0.0777
Plasmodium vivax multidomain scavenger receptor, putative 0.0372 0.0798 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.098 0.3821 0.6956
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0217 0.0028 0.0005
Loa Loa (eye worm) hypothetical protein 0.1277 0.5298 0.9662
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0217 0.0028 0.001

Activities

Activity type Activity value Assay description Source Reference
Dose (functional) 0 mg kg-1 Antitumor activity against L1210 leukemia cells in mice, activity is expressed as optimal effective dose; ND means no data ChEMBL. 3669023
Dose (functional) = 50 mg kg-1 Antitumor activity against B16 melanoma cells in mice. Activity is expressed as optimal effective dose. ChEMBL. 3669023
Dose (functional) = 50 mg kg-1 Antitumor activity against B16 melanoma cells in mice. Activity is expressed as optimal effective dose. ChEMBL. 3669023
T/C (functional) 0 % Antitumor activity against L1210 leukemia cells in mice, activity is expressed as average survival time of treated/control animals x 100; ND means no data ChEMBL. 3669023
T/C (functional) = 181 % Antitumor activity against B16 melanoma cells in mice, activity is expressed as average survival time of treated/control animals x 100. ChEMBL. 3669023
Weight change (functional) 0 % Antitumor activity against L1210 leukemia cells in mice calculated as average change in body weight from onset to termination of therapy; ND means no data ChEMBL. 3669023
Weight change (functional) = 2.5 % Antitumor activity against mouse B16 melanoma cells, calculated as average change in body weight from onset to termination of therapy ChEMBL. 3669023

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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