Detailed information for compound 1695365

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.467 | Formula: C16H28N2O8S
  • H donors: 5 H acceptors: 6 LogP: -2.03 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OS(=O)(=O)O.COC(=O)NCCc1ccc(cc1)OCC(CNC(C)C)O
  • InChi: 1S/C16H26N2O4.H2O4S/c1-12(2)18-10-14(19)11-22-15-6-4-13(5-7-15)8-9-17-16(20)21-3;1-5(2,3)4/h4-7,12,14,18-19H,8-11H2,1-3H3,(H,17,20);(H2,1,2,3,4)
  • InChiKey: SBSLOAMLOUUBRH-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
Echinococcus multilocularis neuropeptide receptor A26 0.0463 0.578 0.578
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0342 0.0968
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0048 0.0366 0.0633
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0367 0.1883
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0048 0.0366 0.1876
Echinococcus granulosus 6 phosphofructokinase 0.0109 0.1163 0.2012
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0524 0.0906
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0165 0.1889 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0342 0.1747
Brugia malayi mbt repeat family protein 0.0048 0.0367 0.1634
Brugia malayi 6-phosphofructokinase 0.0109 0.1163 0.6009
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0453 0.0453
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0524 0.0524
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0342 0.0342
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0165 0.1889 1
Brugia malayi mbt repeat family protein 0.0048 0.0367 0.1634
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0165 0.1889 1
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1163 0.5878
Schistosoma mansoni bromodomain containing protein 0.0063 0.057 0.1616
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0039 0.0067
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0039 0.011
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1163 0.5878
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0342 0.0342
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0367 0.104
Plasmodium falciparum phenylalanine--tRNA ligase 0.0048 0.0366 0.135
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0785 0.9974 1
Brugia malayi phosphofructokinase 0.0109 0.1163 0.6009
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0165 0.1889 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0165 0.1889 0.5354
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0342 0.0968
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0165 0.1889 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0276 0.1399
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0165 0.1889 0.1889
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1163 0.3296
Loa Loa (eye worm) MBCTL1 0.0054 0.0453 0.2343
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0367 0.104
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0048 0.0366 0.1627
Echinococcus multilocularis neuropeptide s receptor 0.0463 0.578 0.578
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1163 0.5878
Plasmodium falciparum phenylalanine--tRNA ligase 0.0048 0.0366 0.135
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0165 0.1889 0.3269
Chlamydia trachomatis phenylalanine--tRNA ligase subunit alpha 0.0785 0.9974 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0367 0.0367
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0048 0.0366 0.135
Echinococcus granulosus neuropeptide s receptor 0.0463 0.578 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.1889 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0367 0.104
Brugia malayi 6-phosphofructokinase 0.0109 0.1163 0.6009
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0048 0.0366 0.135
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.0785 0.9974 0.5
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0048 0.0366 0.135
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0453 0.2108
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0213 0.0369
Schistosoma mansoni hypothetical protein 0.029 0.3529 1
Schistosoma mansoni hypothetical protein 0.0021 0.0014 0.0039
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0165 0.1889 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0342 0.0591
Brugia malayi Bromodomain containing protein 0.0038 0.0244 0.096
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0367 0.0635
Echinococcus granulosus neuropeptide receptor A26 0.0463 0.578 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1163 0.6128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0342 0.0968
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0367 0.0635
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1163 0.6128
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0048 0.0366 0.0366
Brugia malayi Bromodomain containing protein 0.0075 0.0723 0.3592
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0342 0.0591
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0453 0.0784
Loa Loa (eye worm) hypothetical protein 0.0071 0.0668 0.3486
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0048 0.0366 0.1036
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1163 0.5878
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0453 0.1284
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1163 0.5878
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0367 0.5
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0117 0.1268 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0188 0.2198 0.2198
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0039 0.0039
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0213 0.0213
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0188 0.2198 0.3802
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0048 0.0366 0.135
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0165 0.1889 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0048 0.0366 0.135
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1163 0.3296
Loa Loa (eye worm) hypothetical protein 0.0038 0.0245 0.1234
Loa Loa (eye worm) hypothetical protein 0.0043 0.0301 0.1532
Loa Loa (eye worm) phosphofructokinase 0.0109 0.1163 0.6128
Loa Loa (eye worm) hypothetical protein 0.0054 0.0453 0.2343
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0048 0.0367 0.1883
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.0785 0.9974 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0453 0.0784
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0165 0.1889 1
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0165 0.1889 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0342 0.1494
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0165 0.1889 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0453 0.0453
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1163 0.5878
Onchocerca volvulus 0.0048 0.0367 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1163 0.5878
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0109 0.1163 0.5878
Echinococcus multilocularis 6 phosphofructokinase 0.0109 0.1163 0.1163
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0048 0.0366 0.1036
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0165 0.1889 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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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