Detailed information for compound 24200

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.332 | Formula: C11H15N5O5S
  • H donors: 5 H acceptors: 6 LogP: -2.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC([C@H]([C@@H]1O)O)n1ccc2c1nc(N)nc2S(=O)N
  • InChi: 1S/C11H15N5O5S/c12-11-14-8-4(9(15-11)22(13)20)1-2-16(8)10-7(19)6(18)5(3-17)21-10/h1-2,5-7,10,17-19H,3,13H2,(H2,12,14,15)/t5?,6-,7?,10?,22?/m0/s1
  • InChiKey: NFPPVRBPNODRQJ-CQAATJMTSA-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 multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0313 0.0617
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0526 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.0411 0.0809
Toxoplasma gondii FATC domain-containing protein 0.0025 0.0526 0.6719
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0324 0.0639
Schistosoma mansoni hypothetical protein 0.0173 0.508 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0313 0.0313
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0071 0.0139
Loa Loa (eye worm) hypothetical protein 0.0019 0.0324 0.0324
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0877 0.1726
Brugia malayi hypothetical protein 0.0011 0.0071 0.0071
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0377 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0313 0.0313
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0748 0.1473
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0411 0.5017
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0313 0.0313
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Echinococcus granulosus serine:threonine protein kinase SMG1 0.001 0.0065 0.0128
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0411 0.0452
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0377 0.0065
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0071 0.0139
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0313 0.5386
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.0411 0.0809
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0071 0.0139
Onchocerca volvulus 0.0032 0.0748 0.0886
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0313 0.5386
Schistosoma mansoni ap endonuclease 0.002 0.0377 0.0742
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0411 0.0411
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0377 0.5
Toxoplasma gondii target of rapamycin (TOR), putative 0.0018 0.0313 0.3579
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0313 0.4987
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.3503 0.3503
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0377 0.676
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0377 0.0407
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0071 0.0139
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0227 0.6747 0.6747
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0071 0.0139
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.0526 0.1036
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0313 0.0617
Entamoeba histolytica hypothetical protein 0.0037 0.0877 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.001 0.0065 0.0065
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0411 0.5017
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0314 0.0113
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0324 0.0324
Entamoeba histolytica recQ family helicase, putative 0.0022 0.0411 0.4259
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.0526 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0071 0.0071
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0748 0.1473
Brugia malayi DIX domain containing protein 0.0011 0.0071 0.0071
Echinococcus granulosus GPCR family 2 0.0019 0.0324 0.0639
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0411 0.7499
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0084 0.0191
Echinococcus granulosus geminin 0.0173 0.508 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0012 0.0102 0.0456
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0313 0.0617
Brugia malayi Pre-SET motif family protein 0.0032 0.0748 0.0748
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0377 0.0742
Schistosoma mansoni hypothetical protein 0.0019 0.0324 0.0639
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0084 0.0165
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0084 0.0191
Brugia malayi N-terminal motif family protein 0.0215 0.6388 0.6388
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0377 0.4514
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Schistosoma mansoni hypothetical protein 0.0019 0.0324 0.0639
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0313 0.0617
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0748 0.1473
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0313 0.4987
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.0071
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0526 0.0526
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0022 0.0411 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0313 0.4987
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0998 0.0998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0411 1
Schistosoma mansoni hypothetical protein 0.0019 0.0324 0.0639
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0313 0.4987
Brugia malayi hypothetical protein 0.0011 0.0071 0.0071
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0071 0.0139
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0071 0.0139
Loa Loa (eye worm) RecQ helicase 0.0022 0.0411 0.0411
Schistosoma mansoni dishevelled 0.0011 0.0071 0.0139
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0012 0.0102 0.0102
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0313 0.0313
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0526 0.0603
Entamoeba histolytica hypothetical protein 0.0037 0.0877 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Echinococcus multilocularis geminin 0.0173 0.508 1
Schistosoma mansoni ap endonuclease 0.002 0.0377 0.0742
Schistosoma mansoni hypothetical protein 0.0041 0.0998 0.1965
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0377 0.0407
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0102 0.0048
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0411 0.0411
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0071 0.0139
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0377 0.0377
Schistosoma mansoni hypothetical protein 0.0173 0.508 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0377 0.5
Schistosoma mansoni DNA helicase recq1 0.0022 0.0411 0.0809
Brugia malayi Pre-SET motif family protein 0.0227 0.6747 0.6747
Loa Loa (eye worm) hypothetical protein 0.0332 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.0411 0.0809
Brugia malayi Fibroblast growth factor family protein 0.0332 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0071 0.0139
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0084 0.0406
Echinococcus multilocularis GPCR, family 2 0.0019 0.0324 0.0639
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0324 0.0639
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0377 0.0377
Loa Loa (eye worm) hypothetical protein 0.0215 0.6388 0.6388
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Brugia malayi Protein kinase domain containing protein 0.0122 0.3521 0.3521
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.001 0.0065 0.0128
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0748 0.1473
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0877 0.1726
Trichomonas vaginalis set domain proteins, putative 0.0258 0.7714 1
Toxoplasma gondii exonuclease III APE 0.002 0.0377 0.4514
Schistosoma mansoni dishevelled 0.0011 0.0071 0.0139
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0377 0.0742
Echinococcus granulosus bloom syndrome protein 0.0022 0.0411 0.0809
Schistosoma mansoni DNA helicase recq5 0.0022 0.0411 0.0809
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0018 0.0313 0.3059
Entamoeba histolytica hypothetical protein 0.0037 0.0877 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0411 1
Loa Loa (eye worm) hypothetical protein 0.0332 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0377 0.6504
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.1579 0.1579
Brugia malayi hypothetical protein 0.0037 0.0877 0.0877
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0748 0.1473
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0377 0.384
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0313 0.0617
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.3503 0.3503
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0711 0.14
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0411 0.0411
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0313 0.5386
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0313 0.5386
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0037 0.0877 0.1726
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0215 0.6388 0.8264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Brugia malayi MH2 domain containing protein 0.0122 0.3503 0.3503
Echinococcus granulosus serine protein kinase ATM 0.0025 0.0526 0.1036
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0071 0.0071
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0018 0.0313 0.3059
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0313 0.0617
Loa Loa (eye worm) hypothetical protein 0.0041 0.0998 0.0998
Schistosoma mansoni dep domain containing protein 0.0011 0.0071 0.0139
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0377 0.648
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.0071
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0071 0.0139
Entamoeba histolytica recQ family helicase, putative 0.0011 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0019 0.0324 0.0639
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0313 0.5386
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0071 0.0139
Schistosoma mansoni fkbp-rapamycin associated protein 0.001 0.0065 0.0128
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Onchocerca volvulus 0.0258 0.7714 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0071 0.0139
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0314 0.541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Giardia lamblia Sgs1 DNA helicase, putative 0.0022 0.0411 0.0101
Loa Loa (eye worm) hypothetical protein 0.0022 0.0411 0.0411
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0411 0.0809
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0071 0.0071
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.0526 0.1036
Loa Loa (eye worm) hypothetical protein 0.0022 0.0416 0.0416
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.0411 0.0411
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0748 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.1579 0.1579
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0748 0.1473
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Loa Loa (eye worm) hypothetical protein 0.0122 0.3521 0.3521
Loa Loa (eye worm) hypothetical protein 0.001 0.0065 0.0065
Entamoeba histolytica hypothetical protein 0.0025 0.0526 0.568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Giardia lamblia Hypothetical protein 0.0332 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0748 0.1473
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0411 0.0452
Loa Loa (eye worm) hypothetical protein 0.0032 0.0748 0.0748
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0084 0.0231
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.1579 0.1579
Loa Loa (eye worm) hypothetical protein 0.0059 0.1579 0.1579
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0313 0.4987
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0324 0.0639
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0324 0.0639
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0877 0.1726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0102 0.0048
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0411 0.7283
Plasmodium vivax SET domain protein, putative 0.0032 0.0748 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0377 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.0411 0.0809
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0071 0.0139
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0071 0.0139
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0411 0.0452
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0416 0.7623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0084 0.0406
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0377 0.676
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0313 0.0325
Entamoeba histolytica hypothetical protein 0.0037 0.0877 1

Activities

Activity type Activity value Assay description Source Reference
Cells killed (functional) = 76.93 % Tested for percent of L1210 cells killed by dose 288 mg/kg administered intraperitoneally ChEMBL. 2319564
T/C (functional) = 115 % Tested for postinoculation lifespan in L1210-inoculated mice at dose 288 mg/kg administered intraperitoneally ChEMBL. 2319564

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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