Detailed information for compound 869313

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.513 | Formula: C17H24N2O4S2
  • H donors: 2 H acceptors: 4 LogP: 1.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C(S2)C)(C)C
  • InChi: 1S/C17H24N2O4S2/c1-5-17(3,4)19-15(20)8-9-25(22,23)12-6-7-14-13(10-12)18-16(21)11(2)24-14/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,21)(H,19,20)
  • InChiKey: GNGNZTYHBIMQIY-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
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.009 0.1236 0.1236
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0253 0.1395
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0289 0.0289
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0025 0.0106 0.0106
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0124 0.1817 1
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0042 0.0399 0.2196
Schistosoma mansoni valine-tRNA ligase 0.0042 0.0399 0.0399
Echinococcus granulosus geminin 0.0333 0.5447 0.5447
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0289 0.0289
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.009 0.1236 0.1986
Echinococcus granulosus valyl tRNA synthetase 0.0042 0.0399 0.0399
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.009 0.1236 0.1236
Toxoplasma gondii valyl-tRNA synthetase 0.0042 0.0399 0.052
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0102 0.0563
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0025 0.0106 0.038
Echinococcus multilocularis transcription factor btf3 0.0034 0.0253 0.0253
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0119 0.1734 0.1734
Trypanosoma cruzi hypothetical protein, conserved 0.0124 0.1817 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.073 0.073
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.009 0.1236 0.1236
Mycobacterium tuberculosis Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase) 0.0042 0.0399 0.1431
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0478 0.7961 0.7961
Giardia lamblia Rab geranylgeranyltransferase 0.0478 0.7961 1
Plasmodium vivax valine--tRNA ligase, putative 0.0042 0.0399 0.0377
Schistosoma mansoni tar DNA-binding protein 0.0061 0.073 0.073
Leishmania major basic transcription factor 3a, putative 0.0034 0.0253 0.1395
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0478 0.7961 0.7961
Mycobacterium tuberculosis Possible DNA glycosylase 0.018 0.2788 1
Entamoeba histolytica hypothetical protein 0.0036 0.0289 0.0289
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.009 0.1236 0.1236
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0119 0.1734 0.1734
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0596 1 1
Toxoplasma gondii hypothetical protein 0.0124 0.1817 0.3003
Giardia lamblia Rab geranylgeranyltransferase 0.0124 0.1817 0.2282
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.009 0.1236 0.6802
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0596 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0124 0.1817 0.1817
Schistosoma mansoni hypothetical protein 0.0333 0.5447 0.5447
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.009 0.1236 0.1236
Onchocerca volvulus 0.0124 0.1817 1
Giardia lamblia Isoleucyl-tRNA synthetase 0.0119 0.1734 0.2178
Echinococcus granulosus valyl tRNA synthetase 0.0042 0.0399 0.0399
Mycobacterium leprae Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE) 0.018 0.2788 1
Echinococcus granulosus leucyl tRNA synthetase 0.0042 0.0399 0.0399
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0094 0.1293 0.1293
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0253 0.0253
Echinococcus multilocularis valyl tRNA synthetase 0.0042 0.0399 0.0399
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.009 0.1236 0.1236
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0478 0.7961 0.7961
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0596 1 1
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0042 0.0399 0.2196
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0119 0.1734 0.2858
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0596 1 1
Entamoeba histolytica hypothetical protein 0.0034 0.0253 0.0253
Schistosoma mansoni valine-tRNA ligase 0.0042 0.0399 0.0399
Brugia malayi hypothetical protein 0.0025 0.0102 0.0102
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0478 0.7961 1
Schistosoma mansoni protein farnesyltransferase subunit beta 0.009 0.1236 0.1236
Schistosoma mansoni tar DNA-binding protein 0.0061 0.073 0.073
Trypanosoma brucei lanosterol synthase 0.009 0.1236 0.6802
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0478 0.7961 0.7961
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0025 0.0106 0.0106
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0253 0.1395
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.009 0.1236 0.1986
Brugia malayi isoleucyl-tRNA synthetase 0.0119 0.1734 0.1734
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0119 0.1734 0.1734
Loa Loa (eye worm) hypothetical protein 0.0025 0.0102 0.0102
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.1236 0.6802
Trypanosoma brucei leucyl-tRNA synthetase, putative 0.0042 0.0399 0.2196
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0143 0.2151 0.2151
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.009 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.009 0.1236 0.1236
Entamoeba histolytica valyl tRNA synthetase, putative 0.0042 0.0399 0.0399
Mycobacterium tuberculosis Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase) 0.018 0.2788 1
Plasmodium vivax farnesyltransferase beta subunit, putative 0.009 0.1236 0.1442
Loa Loa (eye worm) hypothetical protein 0.0094 0.1293 0.1293
Loa Loa (eye worm) hypothetical protein 0.0025 0.0106 0.0106
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.009 0.1236 0.1236
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0025 0.0106 0.0106
Leishmania major geranylgeranyltransferase, putative 0.009 0.1236 0.6802
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0119 0.1734 0.5587
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0399 0.0377
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0289 0.0289
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0124 0.1817 0.2181
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0124 0.1817 0.1817
Schistosoma mansoni isoleucine--tRNA ligase 0.0119 0.1734 0.1734
Echinococcus multilocularis geminin 0.0333 0.5447 0.5447
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0124 0.1817 1
Leishmania major leucyl-tRNA synthetase, putative 0.0042 0.0399 0.2196
Loa Loa (eye worm) hypothetical protein 0.0478 0.7961 0.7961
Schistosoma mansoni methionine-tRNA synthetase 0.0025 0.0106 0.0106
Chlamydia trachomatis valine--tRNA ligase 0.0042 0.0399 0.18
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0119 0.1734 0.1734
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0102 0.0563
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0124 0.1817 0.1817
Loa Loa (eye worm) hypothetical protein 0.0119 0.1734 0.1734
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0354 0.5811 0.5811
Echinococcus granulosus tar DNA binding protein 0.0061 0.073 0.073
Toxoplasma gondii hypothetical protein 0.0354 0.5811 1
Trypanosoma cruzi hypothetical protein, conserved 0.0124 0.1817 1
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0025 0.0106 0.0106
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1733 0.1733
Leishmania major valyl-tRNA synthetase, putative 0.0042 0.0399 0.2196
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0596 1 1
Giardia lamblia Valine-tRNA ligase 0.0042 0.0399 0.0501
Plasmodium falciparum valine--tRNA ligase, putative 0.0042 0.0399 0.0377
Loa Loa (eye worm) TAR-binding protein 0.0061 0.073 0.073
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.073 0.073
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.009 0.1236 0.4432
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0596 1 1
Treponema pallidum isoleucyl-tRNA synthetase 0.0119 0.1734 1
Chlamydia trachomatis isoleucine--tRNA ligase 0.0119 0.1734 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0253 0.0253
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0124 0.1817 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.009 0.1236 0.6802
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0119 0.1734 0.1734
Leishmania major hypothetical protein, conserved 0.0025 0.0102 0.0563
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0124 0.1817 1
Toxoplasma gondii isoleucyl-tRNA synthetase, putative 0.0042 0.0399 0.052
Onchocerca volvulus 0.0042 0.0399 0.1712
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0102 0.0563
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0478 0.7961 1
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0253 0.1395
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.009 0.1236 0.1236
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0253 0.0253
Leishmania major farnesyltransferase beta subunit 0.009 0.1236 0.6802
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0596 1 1
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0119 0.1734 0.2076
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0124 0.1817 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0253 0.0192
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0124 0.1817 0.1817
Echinococcus granulosus transcription factor btf3 0.0034 0.0253 0.0253
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.018 0.2788 1
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0042 0.0399 0.0399
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0025 0.0106 0.0106
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0025 0.0106 0.0583
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0119 0.1734 0.1734
Loa Loa (eye worm) RNA binding protein 0.0061 0.073 0.073
Trypanosoma cruzi lanosterol synthase, putative 0.009 0.1236 0.6802
Brugia malayi TAR-binding protein 0.0061 0.073 0.073
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0119 0.1734 0.2076
Entamoeba histolytica hypothetical protein 0.0036 0.0289 0.0289
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0124 0.1817 0.1817
Leishmania major isoleucyl-tRNA synthetase, putative 0.0119 0.1734 0.9543
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.009 0.1236 0.1236
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.009 0.1236 0.6802
Toxoplasma gondii tRNA synthetase, putative 0.0042 0.0399 0.052
Loa Loa (eye worm) hypothetical protein 0.0042 0.0399 0.0399
Toxoplasma gondii leucyl-tRNA synthetase 0.0042 0.0399 0.052
Brugia malayi Valyl-tRNA synthetase 0.0042 0.0399 0.0399
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0124 0.1817 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.009 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.0025 0.0106 0.0106
Brugia malayi MH2 domain containing protein 0.0119 0.1733 0.1733
Trypanosoma cruzi lanosterol synthase, putative 0.009 0.1236 0.6802
Schistosoma mansoni tar DNA-binding protein 0.0061 0.073 0.073
Treponema pallidum valyl-tRNA synthetase 0.0042 0.0399 0.18
Schistosoma mansoni isoleucine--tRNA ligase 0.0119 0.1734 0.1734
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.073 0.073
Trypanosoma cruzi protein farnesyltransferase, putative 0.009 0.1236 0.6802
Entamoeba histolytica leucyl-tRNA synthetase, putative 0.0042 0.0399 0.0399
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0119 0.1734 0.5587
Trypanosoma brucei hypothetical protein, conserved 0.0124 0.1817 1
Mycobacterium ulcerans valyl-tRNA synthetase 0.0042 0.0399 0.1431
Schistosoma mansoni hypothetical protein 0.0036 0.0289 0.0289
Plasmodium vivax geranylgeranyltransferase, putative 0.009 0.1236 0.1442
Echinococcus granulosus leucyl tRNA synthetase 0.0042 0.0399 0.0399
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0253 0.0192
Wolbachia endosymbiont of Brugia malayi formamidopyrimidine-DNA glycosylase 0.018 0.2788 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0124 0.1817 0.1817
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.009 0.1236 0.1986
Schistosoma mansoni tar DNA-binding protein 0.0061 0.073 0.073
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0478 0.7961 0.7961
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.009 0.1236 0.1236
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0478 0.7961 0.7961
Schistosoma mansoni hypothetical protein 0.0333 0.5447 0.5447
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.009 0.1236 0.1236
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.009 0.1236 0.1442
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.018 0.2788 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.009 0.1236 0.1236
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0253 0.0265
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1733 0.1733
Brugia malayi leucyl-tRNA synthetase 0.0042 0.0399 0.0399
Entamoeba histolytica hypothetical protein 0.0036 0.0289 0.0289
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0119 0.1734 0.9543
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.1236 0.6802
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.009 0.1236 0.1236
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0478 0.7961 0.7961
Brugia malayi valyl-tRNA synthetase family protein 0.0042 0.0399 0.0399
Giardia lamblia Rab geranylgeranyltransferase 0.009 0.1236 0.1552
Brugia malayi RNA binding protein 0.0061 0.073 0.073
Entamoeba histolytica hypothetical protein 0.0036 0.0289 0.0289
Schistosoma mansoni transcription factor btf3 0.0034 0.0253 0.0253
Plasmodium falciparum valine--tRNA ligase, putative 0.0042 0.0399 0.0377
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.0253 0.0253
Entamoeba histolytica valyl-tRNA synthetase, putative 0.0042 0.0399 0.0399
Echinococcus multilocularis leucyl tRNA synthetase 0.0042 0.0399 0.0399
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0124 0.1817 0.1817
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0119 0.1734 0.6218
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.0077 0.1001 0.3589
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0478 0.7961 0.7961
Giardia lamblia Prenyltransferase 0.009 0.1236 0.1552
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.009 0.1236 0.1236
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0042 0.0399 0.0399
Plasmodium falciparum protein farnesyltransferase subunit beta 0.009 0.1236 0.1442
Plasmodium falciparum leucine--tRNA ligase, putative 0.0042 0.0399 0.0377
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0253 0.0253
Brugia malayi beta-NAC-like protein 0.0034 0.0253 0.0253
Onchocerca volvulus 0.0094 0.1293 0.6942
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0124 0.1817 1
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0119 0.1734 0.9543
Echinococcus multilocularis valyl tRNA synthetase 0.0042 0.0399 0.0399
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0222 0.3521 0.435
Toxoplasma gondii leucyl-tRNA synthetase (LeuRS2) 0.0042 0.0399 0.052
Echinococcus multilocularis leucyl tRNA synthetase 0.0042 0.0399 0.0399
Trypanosoma brucei protein farnesyltransferase beta subunit 0.009 0.1236 0.6802
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.009 0.1236 0.1442
Echinococcus multilocularis tar DNA binding protein 0.0061 0.073 0.073
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0124 0.1817 0.1817
Loa Loa (eye worm) hypothetical protein 0.009 0.1236 0.1236
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0094 0.1293 0.1293
Schistosoma mansoni leucyl-tRNA synthetase 0.0042 0.0399 0.0399
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0124 0.1817 0.2181
Echinococcus granulosus protein farnesyltransferase subunit beta 0.009 0.1236 0.1236
Brugia malayi hypothetical protein 0.0036 0.0289 0.0289
Plasmodium falciparum geranylgeranyltransferase, putative 0.009 0.1236 0.1442
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0478 0.7961 0.7961
Trypanosoma brucei valyl-tRNA synthetase, putative 0.0042 0.0399 0.2196

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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