Detailed information for compound 828347

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.315 | Formula: C14H15BrN2O3S2
  • H donors: 0 H acceptors: 3 LogP: 2.4 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N=C1SC2C(N1c1ccc(c(c1)C)Br)CS(=O)(=O)C2
  • InChi: 1S/C14H15BrN2O3S2/c1-8-5-10(3-4-11(8)15)17-12-6-22(19,20)7-13(12)21-14(17)16-9(2)18/h3-5,12-13H,6-7H2,1-2H3/b16-14-
  • InChiKey: FWUHHICZHIGKPS-PEZBUJJGSA-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 0.0176 0.148 0.1766
Toxoplasma gondii target of rapamycin (TOR), putative 0.0099 0.0397 0.1608
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0367 0.4163 0.4989
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0128 0.0807 0.3142
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0128 0.0807 0.3269
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0637 0.7947 0.9052
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0176 0.148 0.6103
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0176 0.148 0.6103
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0176 0.148 0.1128
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0239 0.2365 0.205
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0099 0.0397 0.1336
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0169 0.1387 0.5691
Schistosoma mansoni fkbp-rapamycin associated protein 0.0099 0.0397 0.0318
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0128 0.0807 0.2084
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0099 0.0397 0.1336
Leishmania major phosphatidylinositol 3-kinase, putative 0.0176 0.148 0.5502
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0176 0.148 0.5502
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0169 0.1387 0.9136
Leishmania major S-adenosylhomocysteine hydrolase 0.0128 0.0807 0.2084
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0099 0.0397 0.1336
Toxoplasma gondii adenosylhomocysteinase, putative 0.0128 0.0807 0.3269
Loa Loa (eye worm) phosphatidylinositol 3 0.0099 0.0397 0.0386
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0099 0.0397 0.1336
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0239 0.2365 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0162 0.1282 0.5193
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0176 0.148 1
Echinococcus granulosus adenosylhomocysteinase 0.0128 0.0807 0.0543
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0099 0.0397 0.1608
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0176 0.148 0.1435
Schistosoma mansoni hypothetical protein 0.0099 0.0397 0.0318
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0484 0.1717
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0176 0.148 0.6103
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0099 0.0397 0.0318
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0176 0.148 0.5502
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0128 0.0807 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0239 0.2365 0.2607
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0484 0.044
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0176 0.148 0.5502
Loa Loa (eye worm) hypothetical protein 0.0367 0.4163 0.5182
Loa Loa (eye worm) phosphatidylinositol 3 0.0099 0.0397 0.0386
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0637 0.7947 0.7862
Schistosoma mansoni adenosylhomocysteinase 0.0128 0.0807 0.0792
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0239 0.2365 1
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0128 0.0807 0.3788
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0484 0.1717
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0484 0.044
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0239 0.2365 0.2893
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0176 0.148 0.6103
Giardia lamblia Phosphatidylinositol 4-kinase 0.0169 0.1387 0.9136
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0169 0.1387 0.5027
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0128 0.0807 0.2084
Loa Loa (eye worm) phosphatidylinositol 3 0.0637 0.7947 1
Brugia malayi Adenosylhomocysteinase 0.0128 0.0807 0.0543
Toxoplasma gondii FATC domain-containing protein 0.0099 0.0397 0.1608
Loa Loa (eye worm) hypothetical protein 0.0099 0.0397 0.0386
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0176 0.148 0.6103
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0176 0.148 0.5502
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0484 0.0418
Onchocerca volvulus 0.0637 0.7947 0.5
Entamoeba histolytica adenosylhomocysteinase, putative 0.0128 0.0807 0.3142
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0099 0.0397 0.1336
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0484 0.0497
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.0484 0.044
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0169 0.1387 0.5691
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0176 0.148 0.5502
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0239 0.2365 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0176 0.148 0.6103
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0099 0.0397 0.0318
Entamoeba histolytica hypothetical protein 0.0099 0.0397 0.1336
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0099 0.0397 0.1336
Brugia malayi 6-phosphofructokinase 0.0105 0.0484 0.0115
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0128 0.0807 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0099 0.0397 0.1608
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0186 0.1625 0.1627
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0484 0.044
Loa Loa (eye worm) phosphatidylinositol 3 0.0169 0.1387 0.1646
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0099 0.0397 0.1336
Echinococcus multilocularis adenosylhomocysteinase 0.0128 0.0807 0.0427
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0176 0.148 0.1435
Brugia malayi 6-phosphofructokinase 0.0105 0.0484 0.0115
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0637 0.7947 0.7862
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0128 0.0807 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0176 0.148 0.1571
Entamoeba histolytica hypothetical protein 0.0099 0.0397 0.1336
Loa Loa (eye worm) phosphatidylinositol 3 0.0099 0.0397 0.0386
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0247 0.247 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.0484 0.2109
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0484 0.1717
Echinococcus multilocularis Zinc finger, PHD finger 0.0176 0.148 0.1128
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0169 0.1387 0.1311
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.0484 0.2109
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0169 0.1387 0.1462
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0099 0.0397 0.1336
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0367 0.4163 0.4989
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0367 0.4163 0.4675
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0099 0.0397 0.1336
Loa Loa (eye worm) hypothetical protein 0.0099 0.0397 0.0386
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0239 0.2365 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0637 0.7947 1
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0128 0.0807 0.3142
Loa Loa (eye worm) phosphatidylinositol 3 0.0176 0.148 0.1766
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0239 0.2365 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0176 0.148 0.1571
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0637 0.7947 1
Echinococcus multilocularis 0.0169 0.1387 0.103
Loa Loa (eye worm) phosphatidylinositol kinase 0.0637 0.7947 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0248 0.2485 0.2765
Leishmania major phosphatidylinositol 4-kinase, putative 0.0169 0.1387 0.5027
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0239 0.2365 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0176 0.148 1
Entamoeba histolytica protein kinase rad3, putative 0.0099 0.0397 0.1336
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0176 0.148 0.5502
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0239 0.2365 0.2607
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0169 0.1387 0.9136
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0099 0.0397 0.1336
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0484 0.0497
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0637 0.7947 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0637 0.7947 1
Entamoeba histolytica hypothetical protein 0.0176 0.148 0.6103
Loa Loa (eye worm) phosphatidylinositol 3 0.0637 0.7947 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0099 0.0397 0.1336
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0367 0.4163 0.4989
Trypanosoma cruzi target of rapamycin kinase 3 0.0099 0.0397 0.1336
Loa Loa (eye worm) phosphofructokinase 0.0105 0.0484 0.0497
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0484 0.0418
Onchocerca volvulus 0.0637 0.7947 0.5
Loa Loa (eye worm) adenosylhomocysteinase 0.0128 0.0807 0.0909
Brugia malayi phosphofructokinase 0.0105 0.0484 0.0115
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0176 0.148 0.1435
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0176 0.148 0.1435
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0484 0.1717
Entamoeba histolytica hypothetical protein 0.0099 0.0397 0.1336
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0239 0.2365 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0128 0.0807 0.2084
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.0484 0.009
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0239 0.2365 0.2595
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0484 0.044
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0169 0.1387 0.1311
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0484 0.044
Plasmodium falciparum adenosylhomocysteinase 0.0128 0.0807 0.3788
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0176 0.148 0.6103
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0176 0.148 0.5502
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0176 0.148 0.1128
Loa Loa (eye worm) cyclin domain-containing protein 0.0248 0.2485 0.3045
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0176 0.148 0.5993
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0176 0.148 0.1571
Schistosoma mansoni peptidylglycine monooxygenase 0.0367 0.4163 0.4675
Entamoeba histolytica hypothetical protein 0.0099 0.0397 0.1336
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0176 0.148 0.5502
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0181 0.1549 0.1525
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0176 0.148 0.5502
Loa Loa (eye worm) hypothetical protein 0.0367 0.4163 0.5182
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0367 0.4163 0.3922
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0176 0.148 0.1435
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0099 0.0397 0.1608
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0176 0.148 0.6103
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0099 0.0397 0.1336
Schistosoma mansoni dopamine-beta-monooxygenase 0.0695 0.8767 1
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0099 0.0397 0.1336
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0099 0.0397 0.0318
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0099 0.0397 0.0318
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.0484 0.0115
Loa Loa (eye worm) hypothetical protein 0.0637 0.7947 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0176 0.148 0.1435
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0176 0.148 0.5502
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0176 0.148 0.6103
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.0484 0.5
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0176 0.148 1

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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