Detailed information for compound 609462

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.417 | Formula: C17H20N2O4S
  • H donors: 0 H acceptors: 2 LogP: 3.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C(=O)N=c1sc(c(n1C)C)C(=O)OCC
  • InChi: 1S/C17H20N2O4S/c1-5-22-13-9-7-12(8-10-13)15(20)18-17-19(4)11(3)14(24-17)16(21)23-6-2/h7-10H,5-6H2,1-4H3/b18-17-
  • InChiKey: XOMSNPQSJZPQFU-ZCXUNETKSA-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
Loa Loa (eye worm) hypothetical protein 0.0044 0.0607 0.2525
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0019 0.0144 0.0367
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.059 1
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0499 1
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0045 0.0613 0.2549
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1946 0.8087
Trichomonas vaginalis guanylate cyclase, putative 0.0019 0.0144 0.2438
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0563 0.9547
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0949 0.3946
Entamoeba histolytica hypothetical protein 0.0043 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0895 0.372
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.059 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0144 0.2438
Schistosoma mansoni hypothetical protein 0.0019 0.0143 0.0595
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0589 0.0589
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0019 0.0144 0.2438
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0563 0.9547
Brugia malayi hypothetical protein 0.0043 0.0589 0.2448
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0629 0.0629
Trichomonas vaginalis guanylate cyclase, putative 0.0019 0.0144 0.2438
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0563 0.0563
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.059 0.1506
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0019 0.0144 0.0597
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0064 0.0962 0.3998
Entamoeba histolytica hypothetical protein 0.0043 0.0589 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.059 0.245
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0225 0.3915 1
Brugia malayi hypothetical protein 0.0045 0.0613 0.2549
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0019 0.0144 0.0367
Loa Loa (eye worm) RNA binding protein 0.0063 0.0949 0.3946
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0143 0.0595
Mycobacterium ulcerans beta-lactamase 0.0043 0.059 0.5
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0019 0.0144 0.2438
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0563 0.9547
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.059 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0607 0.2525
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0045 0.0613 0.2549
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0547 0.2273
Brugia malayi beta-lactamase 0.0043 0.059 0.245
Brugia malayi MH2 domain containing protein 0.0118 0.1946 0.8087
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0143 0.0143
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0629 0.0629
Toxoplasma gondii ABC1 family protein 0.0043 0.059 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0499 1
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.2406 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0143 0.0595
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0563 0.9547
Leishmania major protein kinase, putative 0.0019 0.0144 0.0367
Echinococcus granulosus GPCR family 2 0.0019 0.0143 0.0143
Brugia malayi PAS domain containing protein 0.0019 0.0144 0.0597
Echinococcus multilocularis GPCR, family 2 0.0019 0.0143 0.0143
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0895 0.372
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0019 0.0144 0.2438
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0563 0.9547
Onchocerca volvulus Protein cycle homolog 0.0045 0.0613 0.0648
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.059 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.059 0.1506
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0949 0.3946
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0019 0.0149 0.0149
Schistosoma mansoni hypothetical protein 0.0041 0.0547 0.2273
Schistosoma mansoni hypothetical protein 0.0019 0.0143 0.0595
Loa Loa (eye worm) hypothetical protein 0.0043 0.059 0.245
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0044 0.0607 0.2525
Brugia malayi RNA binding protein 0.0063 0.0949 0.3946
Loa Loa (eye worm) hypothetical protein 0.0041 0.0547 0.2273
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1946 0.8087
Mycobacterium leprae Probable lipase LipE 0.0043 0.059 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0949 0.0949
Schistosoma mansoni single-minded 0.0019 0.0144 0.0597
Entamoeba histolytica hypothetical protein 0.0043 0.0589 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.059 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.059 0.245
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.2333 0.2333
Plasmodium vivax hypothetical protein, conserved 0.0043 0.059 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.059 0.245
Loa Loa (eye worm) acetyltransferase 0.0143 0.2406 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4871 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.059 0.245
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0019 0.0144 0.0367
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0143 0.0143
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0019 0.0144 0.5
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0019 0.0144 0.0367
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0589 0.2448
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.2406 0.2406
Onchocerca volvulus 0.0064 0.0956 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0629 0.2612
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0895 0.372
Leishmania major hypothetical protein, conserved 0.0225 0.3915 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.059 0.1506
Schistosoma mansoni hypothetical protein 0.0043 0.0589 0.2448
Loa Loa (eye worm) hypothetical protein 0.0043 0.059 0.245
Brugia malayi hypothetical protein 0.0044 0.0607 0.2525
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0949 0.3946
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.059 0.245
Echinococcus multilocularis neuropeptide receptor A26 0.0558 1 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0949 0.0949
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.059 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0895 0.372
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0629 0.2612
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.059 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0064 0.0962 0.0962
Mycobacterium ulcerans lipase LipD 0.0043 0.059 0.5
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0045 0.0613 0.2549
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0019 0.0144 0.0367
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0019 0.0144 0.2438
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0949 0.3946
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.2406 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0064 0.0962 0.0962
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0045 0.0613 0.2549
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0949 0.3946
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.059 0.245
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0019 0.0149 0.0149
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0019 0.0144 0.0367
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0144 0.2438
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0019 0.0144 0.0367
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0225 0.3915 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0144 0.2438
Trichomonas vaginalis adenylate cyclase, putative 0.0019 0.0144 0.2438
Schistosoma mansoni aryl hydrocarbon receptor 0.0019 0.0149 0.0621
Loa Loa (eye worm) beta-lactamase 0.0043 0.059 0.245
Loa Loa (eye worm) hypothetical protein 0.0043 0.059 0.245
Brugia malayi beta-lactamase family protein 0.0043 0.059 0.245
Loa Loa (eye worm) hypothetical protein 0.0044 0.0607 0.2525
Loa Loa (eye worm) hypothetical protein 0.0043 0.059 0.245
Mycobacterium leprae conserved hypothetical protein 0.0043 0.059 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0629 0.2612
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0949 0.3946
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0629 0.2612
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0143 0.0595
Brugia malayi hypothetical protein 0.0064 0.0956 0.3974
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0044 0.0607 0.2525
Echinococcus multilocularis neuropeptide s receptor 0.0558 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0629 0.2612
Brugia malayi beta-lactamase family protein 0.0043 0.059 0.245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0629 0.0629
Brugia malayi TAR-binding protein 0.0063 0.0949 0.3946
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0019 0.0144 0.2438
Loa Loa (eye worm) hypothetical protein 0.0064 0.0956 0.3974
Leishmania major protein kinase, putative 0.0019 0.0144 0.0367
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0949 0.3946
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.0595
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.059 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0629 0.0629
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.059 0.059
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.059 0.1506
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.059 0.059
Trichomonas vaginalis esterase, putative 0.0043 0.059 1
Schistosoma mansoni hypothetical protein 0.0019 0.0143 0.0595
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0143 0.0143
Entamoeba histolytica hypothetical protein 0.0043 0.0589 1
Schistosoma mansoni hypothetical protein 0.0019 0.0143 0.0595
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0949 0.3946

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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