Detailed information for compound 1511193

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.418 | Formula: C16H18N6O3S
  • H donors: 0 H acceptors: 6 LogP: 1.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS(=O)(=O)N1CCC(CC1)n1nnc(c1)c1noc(n1)c1ccccc1
  • InChi: 1S/C16H18N6O3S/c1-26(23,24)21-9-7-13(8-10-21)22-11-14(18-20-22)15-17-16(25-19-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
  • InChiKey: YVYQTZYIJLVYOW-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
Echinococcus granulosus single minded 2 0.0038 0.1047 0.1088
Brugia malayi Peptidase family M1 containing protein 0.0215 0.9116 0.9116
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.0061
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0075 0.2774 0.2996
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0139 0.5677 0.6202
Brugia malayi intermediate filament protein 0.0027 0.0577 0.0577
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0075 0.2774 0.2584
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0039 0.1089 0.0614
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0039 0.1089 0.0614
Trypanosoma brucei protein kinase, putative 0.0039 0.1089 0.0614
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0028 0.0608 0.0604
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0139 0.5677 0.5979
Schistosoma mansoni cytochrome P450 0.0027 0.0564 0.0555
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0577 0.0577
Trypanosoma brucei Aminopeptidase M1, putative 0.0215 0.9116 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0075 0.2774 0.2996
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0028 0.0608 0.0604
Brugia malayi TATA binding protein associated factor 0.0075 0.2774 0.2774
Brugia malayi Cytochrome P450 family protein 0.0086 0.323 0.323
Trichomonas vaginalis CMGC family protein kinase 0.0039 0.1089 0.0566
Schistosoma mansoni intermediate filament proteins 0.0027 0.0577 0.0569
Echinococcus granulosus mitogen activated protein kinase 3 0.0039 0.1089 0.1135
Echinococcus multilocularis transfer RNA-Lys 0.0038 0.1047 0.1088
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0215 0.9116 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.1385 0.1385
Loa Loa (eye worm) hypothetical protein 0.0075 0.2774 0.2774
Trypanosoma cruzi cytochrome P450, putative 0.0086 0.323 0.3117
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0028 0.0608 0.0604
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0039 0.1089 0.1089
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0028 0.0608 0.0052
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0075 0.2774 0.2584
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0075 0.2774 0.5
Entamoeba histolytica aminopeptidase, putative 0.0215 0.9116 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0061 0.0061
Toxoplasma gondii aminopeptidase N, putative 0.0075 0.2774 0.5196
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0086 0.323 0.3117
Trichomonas vaginalis CMGC family protein kinase 0.0039 0.1089 0.0566
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0215 0.9116 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0039 0.1089 0.0614
Schistosoma mansoni aryl hydrocarbon receptor 0.0051 0.1648 0.1752
Brugia malayi Peptidase family M1 containing protein 0.0075 0.2774 0.2774
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0215 0.9116 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0215 0.9116 1
Trichomonas vaginalis CMGC family protein kinase 0.0039 0.1089 0.0566
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.012 0.4817 0.4973
Schistosoma mansoni hypothetical protein 0.0034 0.0904 0.0931
Echinococcus granulosus aminopeptidase N 0.0215 0.9116 1
Mycobacterium leprae Conserved hypothetical protein 0.0027 0.0564 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0215 0.9116 1
Brugia malayi MAP kinase sur-1 0.0039 0.1089 0.1089
Loa Loa (eye worm) CYP4Cod1 0.0086 0.323 0.323
Loa Loa (eye worm) hypothetical protein 0.0028 0.0608 0.0608
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0075 0.2774 0.2996
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0577 0.0577
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0028 0.0608 0.0604
Onchocerca volvulus 0.0038 0.1047 0.055
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0075 0.2774 0.2996
Loa Loa (eye worm) peptidase family M1 containing protein 0.0075 0.2774 0.2774
Brugia malayi Cytochrome P450 family protein 0.0045 0.1385 0.1385
Echinococcus granulosus ubiquitin specific protease 41 0.0028 0.0608 0.0604
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0075 0.2774 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.5677 0.5677
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0061 0.0061
Echinococcus granulosus lamin dm0 0.0027 0.0577 0.0569
Trypanosoma brucei aminopeptidase, putative 0.0075 0.2774 0.2584
Loa Loa (eye worm) cytochrome P450 0.0027 0.0564 0.0564
Echinococcus multilocularis ubiquitin specific protease 41 0.0028 0.0608 0.0604
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.163 0.163
Toxoplasma gondii aminopeptidase n, putative 0.0075 0.2774 0.5196
Loa Loa (eye worm) hypothetical protein 0.0139 0.5677 0.5677
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0075 0.2774 0.2996
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0028 0.0608 0.0604
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0028 0.0608 0.0052
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0039 0.1089 0.0614
Brugia malayi hypothetical protein 0.017 0.7094 0.7094
Schistosoma mansoni lamin 0.0027 0.0577 0.0569
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0075 0.2774 0.2584
Echinococcus granulosus leukotriene A 4 hydrolase 0.0075 0.2774 0.2996
Brugia malayi Cytochrome P450 family protein 0.0086 0.323 0.323
Toxoplasma gondii aldehyde dehydrogenase 0.012 0.4817 1
Brugia malayi PAS domain containing protein 0.0051 0.1648 0.1648
Brugia malayi Peptidase family M1 containing protein 0.0215 0.9116 0.9116
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0215 0.9116 1
Schistosoma mansoni single-minded 0.0051 0.1648 0.1752
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.4817 0.4973
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0028 0.0608 0.0608
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0075 0.2774 0.2774
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0039 0.1089 0.0614
Loa Loa (eye worm) cytochrome P450 family protein 0.0086 0.323 0.323
Trypanosoma brucei cytochrome P450, putative 0.0086 0.323 0.3117
Mycobacterium ulcerans aminopeptidase N PepN 0.0075 0.2774 0.2584
Onchocerca volvulus 0.0215 0.9116 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0904 0.0904
Giardia lamblia Kinase, CMGC MAPK 0.0039 0.1089 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0028 0.0608 0.0604
Schistosoma mansoni lamin 0.0027 0.0577 0.0569
Schistosoma mansoni hypothetical protein 0.0027 0.0564 0.0555
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0215 0.9116 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0086 0.323 0.323
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0028 0.0608 0.0052
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0139 0.5677 0.6202
Onchocerca volvulus 0.0215 0.9116 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0215 0.9116 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.5677 0.5677
Trypanosoma cruzi aminopeptidase, putative 0.0075 0.2774 0.2584
Onchocerca volvulus 0.0075 0.2774 0.2573
Echinococcus multilocularis lamin dm0 0.0027 0.0577 0.0569
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.4817 0.5252
Echinococcus multilocularis lamin 0.0027 0.0577 0.0569
Trypanosoma cruzi aminopeptidase, putative 0.0215 0.9116 1
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.4817 0.5252
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0075 0.2774 0.2545
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0215 0.9116 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.4817 0.4973
Loa Loa (eye worm) hypothetical protein 0.0075 0.2774 0.2774
Loa Loa (eye worm) hypothetical protein 0.0059 0.2001 0.2001
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0039 0.1089 0.0614
Toxoplasma gondii aminopeptidase N protein 0.0075 0.2774 0.5196
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0061 0.0061
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.1089 0.1135
Echinococcus multilocularis aminopeptidase N 0.0215 0.9116 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0039 0.1089 0.0614
Loa Loa (eye worm) hypothetical protein 0.005 0.163 0.163
Loa Loa (eye worm) hypothetical protein 0.017 0.7094 0.7094
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0039 0.1089 0.1235
Echinococcus granulosus lamin 0.0027 0.0577 0.0569
Loa Loa (eye worm) TATA binding protein associated factor 0.0075 0.2774 0.2774
Loa Loa (eye worm) hypothetical protein 0.0075 0.2774 0.2774
Mycobacterium ulcerans putative regulatory protein 0.0038 0.1047 0.0564
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.163 0.163
Brugia malayi hypothetical protein 0.0215 0.9116 0.9116
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0904 0.0904
Echinococcus multilocularis mitogen activated protein kinase 3 0.0039 0.1089 0.1135
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0215 0.9116 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0577 0.0577
Trypanosoma cruzi cytochrome P450, putative 0.0086 0.323 0.3117
Loa Loa (eye worm) hypothetical protein 0.0027 0.0577 0.0577
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0215 0.9116 1
Loa Loa (eye worm) aminopeptidase N 0.0215 0.9116 0.9116
Trypanosoma cruzi Aminopeptidase M1, putative 0.0215 0.9116 1
Echinococcus multilocularis mitogen activated protein kinase 0.0039 0.1089 0.1135
Echinococcus multilocularis musashi 0.0027 0.0577 0.0569
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0215 0.9116 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0577 0.0569
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0075 0.2774 0.2584
Leishmania major cytochrome p450-like protein 0.0086 0.323 0.3117
Echinococcus granulosus cytochrome P450 2K1 0.0027 0.0564 0.0555
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.012 0.4817 0.5252
Mycobacterium ulcerans aminopeptidase N PepN 0.0215 0.9116 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0157 0.6493 0.6493
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0075 0.2774 0.2584
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0215 0.9116 1
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0075 0.2774 0.2584
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0215 0.9116 1
Brugia malayi hypoxia-induced factor 1 0.0157 0.6493 0.6493
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.4817 0.4973
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.163 0.163
Schistosoma mansoni aminopeptidase A (M01 family) 0.0075 0.2774 0.2996
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0215 0.9116 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0215 0.9116 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0028 0.0608 0.0052
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0215 0.9116 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0554 0.0554
Brugia malayi hypothetical protein 0.0075 0.2774 0.2774
Echinococcus multilocularis 0.0027 0.0564 0.0555
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0215 0.9116 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.012 0.4817 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0075 0.2774 0.5
Brugia malayi bHLH-PAS transcription factor 0.0038 0.1047 0.1047
Echinococcus granulosus mitogen activated protein kinase 0.0039 0.1089 0.1135
Mycobacterium leprae putative cytochrome p450 0.0027 0.0564 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0039 0.1089 0.0566
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0215 0.9116 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.012 0.4817 0.5252
Brugia malayi Cytochrome P450 family protein 0.0027 0.0564 0.0564
Brugia malayi cytochrome P450 0.0027 0.0564 0.0564
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0075 0.2774 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 25 ug ml-1 Antifungal activity against Cryptococcus neoformans ChEMBL. 21324567
MIC (functional) = 50 ug ml-1 Antifungal activity against Candida albicans ChEMBL. 21324567

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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