Detailed information for compound 898029

Basic information

Technical information
  • TDR Targets ID: 898029
  • Name: EU-0007235
  • MW: 458.594 | Formula: C23H26N2O4S2
  • H donors: 0 H acceptors: 2 LogP: 4.42 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C
  • InChi: 1S/C23H26N2O4S2/c1-4-28-18(26)14-30-22-24-20-19(16-12-23(2,3)29-13-17(16)31-20)21(27)25(22)11-10-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3
  • InChiKey: JPCFJINZKSBKAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STOCK1S-86500
  • ChemDiv1_006087
  • BAS 02287649

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
Schistosoma mansoni voltage-gated potassium channel 0.0036 0.0029 0.0029
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0021 0.0021
Mycobacterium tuberculosis Possible siderophore-binding protein 0.0044 0.0051 0.0085
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1641 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.0013
Onchocerca volvulus 0.0261 0.0609 1
Entamoeba histolytica ankyrin, putative 0.0078 0.0136 0.0268
Onchocerca volvulus 0.0225 0.0517 0.8445
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3909 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0029
Mycobacterium ulcerans integral membrane transporter 0.0036 0.0029 0.0001
Loa Loa (eye worm) hypothetical protein 0.1641 0.4162 0.4162
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0013 0.0013
Brugia malayi Pre-SET motif family protein 0.023 0.0528 0.0528
Echinococcus granulosus lamin 0.003 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0029
Brugia malayi hypothetical protein 0.0036 0.0029 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0051 0.0023
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1597 0.4049 1
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0078 0.0136 0.0404
Brugia malayi Pre-SET motif family protein 0.0033 0.0021 0.0021
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0029 0.0067
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0021 0.0021
Entamoeba histolytica acetyltransferase, putative 0.0078 0.0136 0.0268
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0021 0.0021
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0029 0.0029
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0075 0.0129 0.0304
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0029
Mycobacterium ulcerans carbonic anhydrase 0.1597 0.4049 0.9547
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0021 0.0021
Mycobacterium ulcerans carbonic anhydrase 0.1671 0.4239 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0029 0.9373
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.026 0.0607 0.2164
Echinococcus granulosus carbonic anhydrase 0.1641 0.4162 0.4162
Schistosoma mansoni hypothetical protein 0.0036 0.0029 0.0029
Onchocerca volvulus Putative sulfate transporter 0.0225 0.0517 0.8445
Loa Loa (eye worm) intermediate filament protein 0.003 0.0013 0.0013
Echinococcus granulosus dynactin 5 p25 0.0078 0.0136 0.0136
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.2946 0.7521 0.7521
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0029 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0051 0.0023
Schistosoma mansoni voltage-gated potassium channel 0.0136 0.0286 0.0286
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1641 0.4162 0.4162
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0029 0.0029
Chlamydia trachomatis sulfate transporter 0.0036 0.0029 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0029 0.0029
Echinococcus multilocularis carbonic anhydrase 0.1641 0.4162 0.4162
Onchocerca volvulus 0.0036 0.0029 0.0257
Trichomonas vaginalis conserved hypothetical protein 0.1671 0.4239 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0078 0.0136 1
Echinococcus granulosus geminin 0.0168 0.0369 0.0369
Echinococcus multilocularis lamin 0.003 0.0013 0.0013
Brugia malayi intermediate filament protein 0.003 0.0013 0.0013
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0029 0.0029
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0029 0.0029
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0018 0.0018
Leishmania major carbonic anhydrase family protein, putative 0.1597 0.4049 0.4031
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0029 0.0067
Echinococcus granulosus lamin dm0 0.003 0.0013 0.0013
Onchocerca volvulus 0.0075 0.0129 0.1938
Loa Loa (eye worm) hypothetical protein 0.1641 0.4162 0.4162
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0013 0.0013
Mycobacterium ulcerans hypothetical protein 0.0044 0.0051 0.0054
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.0524 0.1855
Plasmodium vivax sulfate transporter, putative 0.0036 0.0029 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0029 0.0029
Schistosoma mansoni lamin 0.003 0.0013 0.0013
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0029 0.0029
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3909 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0029
Trichomonas vaginalis conserved hypothetical protein 0.1671 0.4239 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0029 0.0029
Entamoeba histolytica carbonic anhydrase, putative 0.1597 0.4049 1
Onchocerca volvulus 0.0036 0.0029 0.0257
Leishmania major hypothetical protein, conserved 0.0044 0.0051 0.0023
Schistosoma mansoni voltage-gated potassium channel 0.0036 0.0029 0.0029
Echinococcus granulosus voltage gated potassium channel 0.0036 0.0029 0.0029
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0036 0.0029 0.0029
Schistosoma mansoni carbonic anhydrase-related 0.1641 0.4162 0.4162
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.0528 0.0528
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0036 0.0029 0.0001
Trypanosoma brucei carbonic anhydrase-like protein 0.3909 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1641 0.4162 0.4162
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0021 0.0021
Toxoplasma gondii hypothetical protein 0.1641 0.4162 1
Schistosoma mansoni carbonic anhydrase-related 0.1641 0.4162 0.4162
Schistosoma mansoni intermediate filament proteins 0.003 0.0013 0.0013
Onchocerca volvulus 0.0036 0.0029 0.0257
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0029 0.0067
Mycobacterium leprae PROBABLE TRANSFERASE 0.0075 0.0129 0.0249
Mycobacterium leprae Probable transmembrane transport protein 0.026 0.0607 0.1438
Trypanosoma brucei hypothetical protein, conserved 0.0044 0.0051 0.0023
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1641 0.4162 0.4162
Echinococcus multilocularis geminin 0.0168 0.0369 0.0369
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0858 0.2146 0.793
Echinococcus multilocularis voltage gated potassium channel 0.0036 0.0029 0.0029
Plasmodium falciparum carbonic anhydrase 0.1641 0.4162 1
Schistosoma mansoni carbonic anhydrase 0.1641 0.4162 0.4162
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.3909 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0029
Brugia malayi follicle stimulating hormone receptor 0.0264 0.0615 0.0615
Echinococcus multilocularis carbonic anhydrase II 0.3909 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1641 0.4162 0.4162
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0124 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0029
Echinococcus granulosus carbonic anhydrase II 0.3909 1 1
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0036 0.0029 0.0001
Onchocerca volvulus 0.0033 0.0021 0.0137
Brugia malayi beta-lactamase 0.0036 0.0029 0.0029
Echinococcus multilocularis carbonic anhydrase 0.1641 0.4162 0.4162
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0124 0.0257 0.0257
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3909 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.3909 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3909 1 1
Brugia malayi beta-lactamase family protein 0.0036 0.0029 0.0029
Echinococcus multilocularis lamin dm0 0.003 0.0013 0.0013
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0029 0.0067
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0029
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1641 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.0029 0.0012 0.0012
Trichomonas vaginalis esterase, putative 0.0036 0.0029 0.0067
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0078 0.0136 1
Mycobacterium ulcerans transferase 0.0075 0.0129 0.0238
Loa Loa (eye worm) beta-lactamase 0.0036 0.0029 0.0029
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0999 0.2509 0.9286
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0129 0.0304
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0029 0.0029
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0036 0.0029 0.0018
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0044 0.0051 0.0056
Schistosoma mansoni carbonic anhydrase-related 0.1641 0.4162 0.4162
Toxoplasma gondii ABC1 family protein 0.0036 0.0029 0.0017
Leishmania major carbonic anhydrase-like protein 0.3909 1 1
Schistosoma mansoni lamin 0.003 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0168 0.0369 0.0369
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0021 0.0021
Echinococcus granulosus carbonic anhydrase 0.1641 0.4162 0.4162
Schistosoma mansoni hypothetical protein 0.1641 0.4162 0.4162
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1073 0.2699 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0116 0.0236 0.0556
Schistosoma mansoni carbonic anhydrase 0.1597 0.4049 0.4049
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0124 0.0257 0.0257
Echinococcus granulosus carbonic anhydrase 0.1641 0.4162 0.4162
Echinococcus granulosus intermediate filament protein 0.003 0.0013 0.0013
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0264 0.0615 0.0615
Loa Loa (eye worm) hypothetical protein 0.0108 0.0214 0.0214
Echinococcus multilocularis carbonic anhydrase 0.1641 0.4162 0.4162
Trichomonas vaginalis set domain proteins, putative 0.0261 0.0609 0.1437
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0116 0.0236 0.0556
Brugia malayi beta-lactamase family protein 0.0036 0.0029 0.0029
Schistosoma mansoni hypothetical protein 0.0168 0.0369 0.0369
Schistosoma mansoni voltage-gated potassium channel 0.0136 0.0286 0.0286
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0124 0.0257 0.0257
Loa Loa (eye worm) carbonic anhydrase 3 0.3909 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0029 0.0067
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0033 0.0021 0.0021
Echinococcus multilocularis musashi 0.003 0.0013 0.0013

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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