Detailed information for compound 2073072

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 577.56 | Formula: C25H27N3O11S
  • H donors: 7 H acceptors: 10 LogP: 0.85 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: O=C(SC(C(=O)O)Cc1ccc(cc1)OCc1nc2c(n1C)cc(cc2)O)N[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O
  • InChi: 1S/C25H27N3O11S/c1-28-15-9-12(29)4-7-14(15)26-17(28)10-38-13-5-2-11(3-6-13)8-16(23(33)34)40-25(37)27-22-20(32)18(30)19(31)21(39-22)24(35)36/h2-7,9,16,18-22,29-32H,8,10H2,1H3,(H,27,37)(H,33,34)(H,35,36)/t16?,18-,19-,20+,21-,22+/m0/s1
  • InChiKey: UGKRAHNGTWJBTF-BXLZEGBGSA-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 lamin 0.0013 0.0059 0.0051
Echinococcus granulosus survival motor neuron protein 1 0.0112 0.1644 1
Echinococcus granulosus acetylcholinesterase 0.0019 0.0155 0.0658
Loa Loa (eye worm) glutaminase 0.013 0.1923 1
Brugia malayi RNA binding protein 0.003 0.0334 0.1476
Echinococcus multilocularis agrin 0.0023 0.022 0.1066
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0027 0.0281 0.1191
Loa Loa (eye worm) acetylcholinesterase 1 0.0019 0.0155 0.0537
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0027 0.0281 0.1191
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0014 0.0072 0.0136
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Loa Loa (eye worm) hypothetical protein 0.0034 0.039 0.1794
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0243 0.3711 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0014 0.0081 0.0188
Trichomonas vaginalis glutaminase, putative 0.013 0.1923 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0638 1 1
Toxoplasma gondii tRNA binding domain-containing protein 0.0034 0.0403 0.6689
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0638 1 1
Leishmania major tyrosyl or methionyl-tRNA synthetase-like protein 0.0034 0.0403 0.6883
Trypanosoma cruzi tyrosyl-tRNA synthetase, putative 0.0045 0.0563 1
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0034 0.039 0.2132
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0045 0.0563 1
Echinococcus multilocularis heat shock protein 90 0.0015 0.0101 0.0314
Plasmodium falciparum tRNA import protein tRIP 0.0034 0.0403 0.7135
Loa Loa (eye worm) hypothetical protein 0.0034 0.039 0.1794
Loa Loa (eye worm) hypothetical protein 0.0019 0.0155 0.0537
Echinococcus granulosus tar DNA binding protein 0.003 0.0334 0.1779
Trichomonas vaginalis heat shock protein, putative 0.0012 0.0051 0.0235
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0403 0.2073
Schistosoma mansoni endoplasmin 0.0015 0.0101 0.0225
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0034 0.0403 0.6545
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0243 0.3711 1
Echinococcus granulosus Solute carrier organic anion transporter family 0.0034 0.039 0.2132
Toxoplasma gondii transporter, major facilitator family protein 0.0034 0.039 0.6423
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Brugia malayi Pre-SET motif family protein 0.0099 0.1429 0.7352
Toxoplasma gondii tRNA synthetases class I family protein 0.0045 0.0563 1
Schistosoma mansoni glutaminase 0.013 0.1923 1
Onchocerca volvulus 0.0023 0.022 0.1013
Loa Loa (eye worm) heat shock protein 90 0.0015 0.0101 0.0244
Brugia malayi sodium-independent organic anion transporter family protein 0.0034 0.039 0.1778
Plasmodium vivax methionine-tRNA ligase, putative 0.0034 0.0403 0.6689
Echinococcus multilocularis follistatin 0.0023 0.022 0.1066
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0403 0.7164
Echinococcus multilocularis acetylcholinesterase 0.0019 0.0155 0.0658
Echinococcus granulosus tyrosyl tRNA synthetase 0.0079 0.1111 0.6656
Loa Loa (eye worm) intermediate filament protein 0.0013 0.0059 0.002
Schistosoma mansoni heat shock protein 0.0015 0.0101 0.0225
Plasmodium falciparum heat shock protein 90 0.0015 0.0101 0.1706
Loa Loa (eye worm) hypothetical protein 0.0027 0.0281 0.1208
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0023 0.022 0.0863
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0081 0.0117
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Toxoplasma gondii heat shock protein HSP90 0.0015 0.0101 0.0416
Schistosoma mansoni tar DNA-binding protein 0.003 0.0334 0.1476
Trypanosoma cruzi heat shock protein 85, putative 0.0015 0.0101 0.179
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0045 0.0563 0.2906
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.0034 0.0403 0.2212
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0014 0.0081 0.0188
Brugia malayi Carboxylesterase family protein 0.0019 0.0155 0.0518
Echinococcus granulosus acetylcholinesterase 0.0019 0.0155 0.0658
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0403 0.2073
Loa Loa (eye worm) hypothetical protein 0.0034 0.039 0.1794
Loa Loa (eye worm) hypothetical protein 0.0034 0.039 0.1794
Onchocerca volvulus 0.0014 0.0081 0.0137
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit beta 0.0034 0.0403 0.0354
Onchocerca volvulus 0.0027 0.0281 0.1398
Schistosoma mansoni agrin 0.0023 0.022 0.0867
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Loa Loa (eye worm) carboxylesterase 0.0019 0.0155 0.0537
Loa Loa (eye worm) glutaminase 2 0.013 0.1923 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0023 0.022 0.2899
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.0885
Echinococcus multilocularis tyrosyl tRNA synthetase 0.0079 0.1111 0.6656
Schistosoma mansoni tyrosyl-tRNA synthetase 0.0079 0.1111 0.5644
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.0081 0.0117
Brugia malayi secreted modular calcium-binding protein 1 0.0023 0.022 0.0867
Trichomonas vaginalis methionyl-tRNA synthetase, putative 0.0034 0.0403 0.2073
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0013 0.0059 0.002
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.0034 0.0403 0.2212
Entamoeba histolytica hypothetical protein 0.0034 0.0403 0.6545
Loa Loa (eye worm) hypothetical protein 0.0019 0.0155 0.0537
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0638 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0403 0.2073
Onchocerca volvulus 0.0034 0.039 0.2087
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Echinococcus granulosus agrin 0.0023 0.022 0.1066
Loa Loa (eye worm) hypothetical protein 0.0013 0.0059 0.002
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0099 0.1429 0.7357
Onchocerca volvulus 0.0034 0.039 0.2087
Plasmodium vivax tyrosine--tRNA ligase, putative 0.0045 0.0563 1
Onchocerca volvulus Putative organic anion transporter 0.0034 0.039 0.2087
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0034 0.039 0.2132
Trypanosoma cruzi heat shock protein 90, putative 0.0012 0.0051 0.0901
Brugia malayi sodium-independent organic anion transporter family protein 0.0034 0.039 0.1778
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Brugia malayi heat shock protein 90 0.0015 0.0101 0.0225
Loa Loa (eye worm) RNA binding protein 0.003 0.0334 0.1493
Toxoplasma gondii methionyl-tRNA synthetase 0.0034 0.0403 0.6689
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0403 0.7164
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0027 0.0281 0.0231
Leishmania major tyrosyl-tRNA synthetase, putative 0.0045 0.0563 1
Trichomonas vaginalis heat shock protein, putative 0.0012 0.0051 0.0235
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0281 0.4939
Echinococcus granulosus lamin dm0 0.0013 0.0059 0.0051
Onchocerca volvulus 0.0034 0.039 0.2087
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0027 0.0281 0.1435
Schistosoma mansoni tar DNA-binding protein 0.003 0.0334 0.1476
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Trichomonas vaginalis heat shock protein, putative 0.0012 0.0051 0.0235
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.0885
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0281 0.3898
Echinococcus multilocularis acetylcholinesterase 0.0019 0.0155 0.0658
Entamoeba histolytica hypothetical protein 0.0034 0.0403 0.6545
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0034 0.0403 0.7164
Echinococcus granulosus intermediate filament protein 0.0013 0.0059 0.0051
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Trypanosoma cruzi heat shock protein 90, putative 0.0015 0.0101 0.179
Entamoeba histolytica tyrosyl-tRNA synthetase, putative 0.0045 0.0563 1
Echinococcus granulosus heat shock protein 0.0015 0.0101 0.0314
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0281 0.4494
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0281 0.499
Onchocerca volvulus Putative organic anion transporter 0.0034 0.039 0.2087
Schistosoma mansoni hypothetical protein 0.0023 0.022 0.0863
Brugia malayi hypothetical protein 0.0112 0.1644 0.8503
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0034 0.0403 0.1863
Schistosoma mansoni endoplasmin 0.0015 0.0101 0.0225
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0403 0.2073
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0023 0.022 0.2899
Brugia malayi sodium-independent organic anion transporter family protein 0.0034 0.039 0.1778
Toxoplasma gondii protease inhibitor PI2 0.0023 0.022 0.2899
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0027 0.0281 0.1191
Trichomonas vaginalis heat shock protein, putative 0.0015 0.0101 0.0496
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.0081 0.0117
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0023 0.022 0.0867
Echinococcus multilocularis expressed protein 0.0023 0.022 0.1066
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0034 0.0403 0.6545
Onchocerca volvulus 0.0034 0.039 0.2087
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Echinococcus granulosus carboxylesterase 5A 0.0019 0.0155 0.0658
Trypanosoma brucei tyrosyl/methionyl-tRNA synthetase, putative 0.0034 0.0403 0.6545
Leishmania major hypothetical protein 0.0034 0.0403 0.6883
Echinococcus multilocularis carboxylesterase 5A 0.0019 0.0155 0.0658
Schistosoma mansoni survival motor neuron protein 0.0023 0.022 0.0863
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.003 0.0334 0.1493
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0034 0.0403 0.7164
Onchocerca volvulus 0.0023 0.022 0.1017
Schistosoma mansoni methionyl-tRNA synthetase 0.0034 0.0403 0.1847
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0034 0.039 0.1794
Brugia malayi Endoplasmin precursor 0.0015 0.0101 0.0225
Trypanosoma cruzi heat shock protein 85, putative 0.0015 0.0101 0.179
Giardia lamblia Methionyl-tRNA synthetase 0.0034 0.0403 0.6883
Loa Loa (eye worm) hypothetical protein 0.0034 0.039 0.1794
Onchocerca volvulus Putative organic anion transporter 0.0034 0.039 0.2087
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Schistosoma mansoni follistatin 0.0023 0.022 0.0867
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0281 0.499
Brugia malayi SPARC precursor 0.0023 0.022 0.0867
Schistosoma mansoni organic anion transporter 0.0034 0.039 0.1778
Echinococcus granulosus lamin 0.0013 0.0059 0.0051
Brugia malayi methionyl-tRNA synthetase 0.0034 0.0403 0.1847
Loa Loa (eye worm) hypothetical protein 0.0014 0.0081 0.0137
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Treponema pallidum methionyl-tRNA synthetase 0.0034 0.0403 0.0963
Echinococcus multilocularis musashi 0.0013 0.0059 0.0051
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0023 0.022 0.0867
Echinococcus multilocularis lamin dm0 0.0013 0.0059 0.0051
Echinococcus multilocularis tar DNA binding protein 0.003 0.0334 0.1779
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.0081 0.0117
Mycobacterium ulcerans glutaminase 0.013 0.1923 0.1882
Echinococcus multilocularis survival motor neuron protein 1 0.0112 0.1644 1
Plasmodium vivax heat shock protein 86, putative 0.0015 0.0101 0.0416
Trypanosoma cruzi heat shock protein 85, putative 0.0012 0.0051 0.0901
Brugia malayi TAR-binding protein 0.003 0.0334 0.1476
Schistosoma mansoni tar DNA-binding protein 0.003 0.0334 0.1476
Schistosoma mansoni organic anion transporter 0.0034 0.039 0.1778
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.0885
Trichomonas vaginalis set domain proteins, putative 0.0113 0.1647 0.856
Echinococcus multilocularis heat shock protein 0.0015 0.0101 0.0314
Giardia lamblia Heat shock protein HSP 90-alpha 0.0015 0.0101 0.0978
Brugia malayi hypothetical protein 0.0034 0.039 0.1778
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0027 0.0281 0.4494
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0019 0.0155 0.0518
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0023 0.022 0.0867
Trypanosoma cruzi MFS transporter, putative 0.0034 0.039 0.6936
Giardia lamblia Tyrosyl-tRNA synthetase 0.0045 0.0563 1
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, beta chain PheT 0.0034 0.0403 0.0354
Brugia malayi Pre-SET motif family protein 0.0014 0.0081 0.0117
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0034 0.039 0.2132
Loa Loa (eye worm) agrin synaptic family protein 0.0023 0.022 0.0885
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0027 0.0281 0.1445
Onchocerca volvulus 0.0034 0.039 0.2087
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0023 0.022 0.2899
Echinococcus granulosus follistatin 0.0023 0.022 0.1066
Brugia malayi Carboxylesterase family protein 0.0019 0.0155 0.0518
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0027 0.0281 0.4152
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0023 0.022 0.0885
Brugia malayi glutaminase DH11.1 0.013 0.1923 1
Brugia malayi RNA recognition motif domain containing protein 0.003 0.0334 0.1476
Schistosoma mansoni heat shock protein 0.0015 0.0101 0.0225
Echinococcus granulosus heat shock protein 90 0.0015 0.0101 0.0314
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0027 0.0281 0.4152
Loa Loa (eye worm) hypothetical protein 0.0034 0.039 0.1794
Loa Loa (eye worm) endoplasmin 0.0015 0.0101 0.0244
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Trypanosoma cruzi Heat shock protein 83, putative 0.0015 0.0101 0.179
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0023 0.022 0.0867
Brugia malayi hypothetical protein 0.0034 0.039 0.1778
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Plasmodium vivax endoplasmin, putative 0.0015 0.0101 0.0416
Toxoplasma gondii heat shock protein 90, putative 0.0015 0.0101 0.0416
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0027 0.0281 0.1445
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0023 0.022 0.2899
Loa Loa (eye worm) hypothetical protein 0.0034 0.039 0.1794
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit beta 0.0034 0.0403 0.0354
Onchocerca volvulus 0.0113 0.1647 1
Loa Loa (eye worm) TAR-binding protein 0.003 0.0334 0.1493
Leishmania major heat shock protein 83-1 0.0015 0.0101 0.0978
Leishmania major hypothetical protein, conserved 0.0034 0.0403 0.6883
Trypanosoma cruzi heat shock protein 85, putative 0.0015 0.0101 0.179
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.0885
Schistosoma mansoni tar DNA-binding protein 0.003 0.0334 0.1476
Schistosoma mansoni tar DNA-binding protein 0.003 0.0334 0.1476
Loa Loa (eye worm) hypothetical protein 0.0112 0.1644 0.8506
Plasmodium falciparum tyrosine--tRNA ligase 0.0045 0.0563 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0014 0.0081 0.0188
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0281 0.3898
Brugia malayi prostaglandin transporter 0.0034 0.039 0.1778

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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