Detailed information for compound 1061471

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 536.598 | Formula: C24H32N4O8S
  • H donors: 3 H acceptors: 7 LogP: 0.2 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccccc1)O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O
  • InChi: 1S/C20H28N4O4S.C4H4O4/c1-20(2,3)21-13-16(28-19(25)15-7-5-4-6-8-15)14-27-18-17(22-29-23-18)24-9-11-26-12-10-24;5-3(6)1-2-4(7)8/h4-8,16,21H,9-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-;/m0./s1
  • InChiKey: DMFPCZJODYIBQR-ZSJYYTRTSA-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
Brugia malayi RNA binding protein 0.0062 0.1383 0.1383
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0076 0.0345
Echinococcus multilocularis musashi 0.0026 0.0438 0.1999
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1383 0.1383
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0345 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0147 0.0147
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2191 0.3405
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0345 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2191 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0353 0.0353
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1452 0.3014
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0623 0.0623
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0017 0.0198 0.0198
Brugia malayi intermediate filament protein 0.0026 0.0438 0.0438
Schistosoma mansoni hypothetical protein 0.0015 0.0147 0.0672
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0353 0.0353
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0438 0.0438
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.1452 0.1452
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0147 0.0672
Onchocerca volvulus 0.0026 0.0438 0.0438
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0353 0.0353
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0353 0.0354
Loa Loa (eye worm) hypothetical protein 0.0012 0.0063 0.0063
Giardia lamblia Kinase, PLK 0.0092 0.2191 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0353 0.0354
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0353 0.0354
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpB 0.0183 0.459 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1383 0.1383
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0012 0.0063 0.0063
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.1897 0.8658
Echinococcus granulosus lamin dm0 0.0026 0.0438 0.1999
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0147 0.0672
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0353 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1383 0.6311
Schistosoma mansoni hypothetical protein 0.0033 0.0623 0.2842
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1383 0.6311
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0345 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0017 0.0198 0.0198
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2191 0.3405
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0345 0.0335
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.1452 0.2608
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0353 0.0046
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0147 0.0147
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2191 0.3405
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0353 0.0353
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0353 0.002
Loa Loa (eye worm) hypothetical protein 0.0017 0.0198 0.0198
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0353 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0147 0.0147
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.1452 0.6628
Schistosoma mansoni lamin 0.0026 0.0438 0.1999
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1383 0.6311
Echinococcus granulosus lamin 0.0026 0.0438 0.1999
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0076 0.0345
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2191 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0353 0.0046
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0113 0.0113
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0013 0.0076 0.0076
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1383 0.1383
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.1897 0.8658
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0345 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2191 0.3405
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0353 0.0354
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.2191 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0198 0.0198
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0353 0.0354
Echinococcus granulosus intermediate filament protein 0.0026 0.0438 0.1999
Schistosoma mansoni intermediate filament proteins 0.0026 0.0438 0.1999
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0345 0.0335
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.2191 0.2191
Leishmania major hypothetical protein, unknown function 0.0053 0.1133 0.1857
Brugia malayi MH2 domain containing protein 0.0117 0.2838 0.2838
Onchocerca volvulus 0.0387 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.459 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1032 0.1032
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0353 0.0409
Schistosoma mansoni hypothetical protein 0.0015 0.0147 0.0672
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0353 0.002
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.2838 0.2838
Loa Loa (eye worm) hypothetical protein 0.0023 0.0353 0.0353
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.2191 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PTPB (protein-tyrosine-phosphatase) (PTPase) 0.0183 0.459 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.1452 0.6628
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1452 0.3014
Echinococcus multilocularis lamin dm0 0.0026 0.0438 0.1999
Mycobacterium ulcerans hypothetical protein 0.0023 0.0353 0.0354
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1032 0.1032
Entamoeba histolytica hypothetical protein, conserved 0.0053 0.1133 0.4271
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.1897 0.8658
Schistosoma mansoni lamin 0.0026 0.0438 0.1999
Onchocerca volvulus 0.0387 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.2191 0.2191
Onchocerca volvulus 0.0081 0.1897 0.1897
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0353 0.0354
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.1452 0.1452
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0353 0.0354
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2191 0.3405
Loa Loa (eye worm) RNA binding protein 0.0062 0.1383 0.1383
Onchocerca volvulus 0.0026 0.0438 0.0438
Schistosoma mansoni hypothetical protein 0.0015 0.0147 0.0672
Echinococcus granulosus GPCR family 2 0.0015 0.0147 0.0672
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.2191 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.2838 0.2838
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2191 0.3405
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1383 0.6311
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2191 0.3405
Onchocerca volvulus 0.0023 0.0353 0.0353
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0353 0.0409
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0198 0.0057
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0147 0.0672
Loa Loa (eye worm) hypothetical protein 0.0017 0.0198 0.0198
Leishmania major phosphoinositide phosphatase 0.0183 0.459 1
Schistosoma mansoni hypothetical protein 0.0015 0.0147 0.0672
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0353 0.0046
Schistosoma mansoni kinase 0.0047 0.0984 0.4493
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1032 0.1032
Entamoeba histolytica phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase, putative 0.0053 0.1133 0.4271
Brugia malayi TAR-binding protein 0.0062 0.1383 0.1383
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1032 0.1032
Echinococcus granulosus tar DNA binding protein 0.0062 0.1383 0.6311
Trypanosoma brucei polo-like protein kinase 0.0092 0.2191 1
Echinococcus granulosus transcription factor Dp 1 0.0037 0.073 0.3332
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1383 0.6311
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.2191 0.4349
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1383 0.6311
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0387 1 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.1452 0.5998
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.073 0.3332
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.2191 0.2191
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1452 0.5998
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.2191 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0147 0.0672
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0345 0.039
Loa Loa (eye worm) hypothetical protein 0.0081 0.1897 0.1897
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0345 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0438 0.0438
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.1452 0.6628
Loa Loa (eye worm) hypothetical protein 0.0023 0.0353 0.0353
Loa Loa (eye worm) hypothetical protein 0.0026 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.0033 0.0623 0.0623
Echinococcus multilocularis lamin 0.0026 0.0438 0.1999
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0345 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0147 0.0672
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0345 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0353 0.002
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.1897 0.1897

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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