Detailed information for compound 1549265

Basic information

Technical information
  • TDR Targets ID: 1549265
  • Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-oxo-5 -(pyrrolidine-1-carbonyl)-1,3-benzoxazol-3-yl ]acetamide
  • MW: 466.51 | Formula: C23H22N4O5S
  • H donors: 1 H acceptors: 4 LogP: 3.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc2c(c1)sc(n2)NC(=O)Cn1c(=O)oc2c1cc(cc2)C(=O)N1CCCC1
  • InChi: 1S/C23H22N4O5S/c1-2-31-15-6-7-16-19(12-15)33-22(24-16)25-20(28)13-27-17-11-14(5-8-18(17)32-23(27)30)21(29)26-9-3-4-10-26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,24,25,28)
  • InChiKey: FSTSIRYDMRKCTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-oxo-5-(oxo-1-pyrrolidinylmethyl)-1,3-benzoxazol-3-yl]acetamide
  • N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-keto-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
  • N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylcarbonyl-1,3-benzoxazol-3-yl)ethanamide

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
Plasmodium falciparum perforin-like protein 1 0.0151 0.0811 0.4404
Brugia malayi Histone deacetylase family protein 0.0056 0.0218 0.0829
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0039 0.0113 0.3804
Plasmodium falciparum perforin-like protein 3 0.0151 0.0811 0.4404
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0039 0.0113 0.0406
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0595 0.3573 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0248 0.0499
Brugia malayi hypothetical protein 0.0272 0.1563 0.6219
Onchocerca volvulus 0.0061 0.0248 0.0863
Trypanosoma brucei histone deacetylase, putative 0.0056 0.0218 0.7769
Schistosoma mansoni hypothetical protein 0.0272 0.1563 0.1467
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0193 0.0728
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0291 0.1679 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0424 0.2507 1
Plasmodium vivax perforin-like protein 4 0.0151 0.0811 0.4404
Trypanosoma cruzi histone deacetylase, putative 0.0056 0.0218 0.7769
Schistosoma mansoni polycystin 1-related 0.0272 0.1563 0.1467
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0248 0.0144
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0595 0.3573 1
Echinococcus granulosus macrophage expressed protein 0.1367 0.838 0.8362
Trypanosoma brucei histone deacetylase 4 0.0056 0.0218 0.7769
Plasmodium falciparum LCCL domain-containing protein 0.0272 0.1563 1
Schistosoma mansoni lipoxygenase 0.1138 0.6952 0.6917
Plasmodium vivax multidomain scavenger receptor, putative 0.0272 0.1563 1
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0039 0.0113 0.3804
Leishmania major histone deacetylase, putative 0.0056 0.0218 0.7769
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0248 0.0144
Onchocerca volvulus 0.0482 0.2872 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0234 0.0129
Plasmodium falciparum perforin-like protein 2 0.0151 0.0811 0.4404
Schistosoma mansoni lipoxygenase 0.1628 1 1
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0039 0.0113 0.0007
Plasmodium vivax perforin-like protein 1 0.0151 0.0811 0.4404
Schistosoma mansoni hypothetical protein 0.0051 0.0189 0.0078
Schistosoma mansoni histone deacetylase 4 5 0.0056 0.0218 0.0107
Plasmodium falciparum perforin-like protein 4 0.0151 0.0811 0.4404
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0039 0.0113 0.3804
Brugia malayi Doublecortin family protein 0.0272 0.1563 0.6219
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0278 1
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0039 0.0113 0.0608
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0595 0.3573 1
Brugia malayi Pre-SET motif family protein 0.0424 0.2507 1
Trypanosoma brucei histone deacetylase 3 0.0056 0.0218 0.7769
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0039 0.0113 0.3804
Echinococcus multilocularis microtubule associated protein 2 0.0685 0.4136 0.4073
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0039 0.0113 0.0406
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0248 0.0137
Echinococcus granulosus histone deacetylase 0.0056 0.0218 0.0114
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0278 1
Echinococcus multilocularis histone deacetylase 6 0.0056 0.0218 0.0114
Echinococcus granulosus histone deacetylase 6 0.0056 0.0218 0.0114
Loa Loa (eye worm) histone deacetylase 0.0056 0.0218 0.0829
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0595 0.3573 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0073 0.0325 0.0221
Plasmodium vivax perforin-like protein 2 0.0151 0.0811 0.4404
Loa Loa (eye worm) hypothetical protein 0.0272 0.1563 0.6219
Echinococcus multilocularis lipoxygenase domain containing protein 0.0272 0.1563 0.1473
Brugia malayi Histone deacetylase family protein 0.0056 0.0218 0.0829
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0595 0.3573 1
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0039 0.0113 0.0007
Echinococcus multilocularis histone deacetylase 7 0.0056 0.0218 0.0114
Echinococcus granulosus microtubule associated protein 2 0.0685 0.4136 0.4073
Trichomonas vaginalis set domain proteins, putative 0.0482 0.2871 0.7971
Toxoplasma gondii perforin-like protein PLP1 0.0151 0.0811 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0114 0.0409
Onchocerca volvulus 0.0272 0.1563 0.5443
Echinococcus multilocularis histone deacetylase 6 0.0056 0.0218 0.0114
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0278 1
Onchocerca volvulus 0.0272 0.1563 0.5443
Echinococcus granulosus histone deacetylase 6 0.0056 0.0218 0.0114
Leishmania major histone deacetylase, putative 0.0056 0.0218 0.7769
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0248 0.0137
Echinococcus granulosus Polycystic kidney disease protein 0.0272 0.1563 0.1473
Echinococcus multilocularis lipoxygenase domain containing protein 0.0272 0.1563 0.1473
Plasmodium vivax SET domain protein, putative 0.0061 0.0248 0.022
Plasmodium vivax perforin-like protein 3 0.0151 0.0811 0.4404
Toxoplasma gondii MAC/Perforin domain-containing protein 0.0151 0.0811 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0595 0.3573 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0278 1
Echinococcus multilocularis histone deacetylase 6 0.0056 0.0218 0.0114
Schistosoma mansoni hypothetical protein 0.1367 0.838 0.8361
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0278 0.0174
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0039 0.0113 0.3804
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0278 0.0174
Brugia malayi hypothetical protein 0.0272 0.1563 0.6219
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0595 0.3573 1
Echinococcus multilocularis histone deacetylase 0.0056 0.0218 0.0114
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0278 0.0167
Echinococcus granulosus RUN 0.0272 0.1563 0.1473
Treponema pallidum fructose-bisphosphate aldolase 0.0595 0.3573 0.5
Brugia malayi Pre-SET motif family protein 0.0061 0.0248 0.0948
Chlamydia trachomatis hypothetical protein 0.0151 0.0811 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0685 0.4136 0.4069
Schistosoma mansoni rab6-interacting 0.0272 0.1563 0.1467
Brugia malayi Cytochrome P450 family protein 0.0052 0.0193 0.0728
Loa Loa (eye worm) histone deacetylase 7A 0.0056 0.0218 0.0829
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0278 0.1068
Schistosoma mansoni histone deacetylase 4 5 0.0056 0.0218 0.0107
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0595 0.3573 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.1563 0.6219
Schistosoma mansoni rab6-interacting 0.0272 0.1563 0.1467
Echinococcus granulosus histone deacetylase 7 0.0056 0.0218 0.0114
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0278 0.1068
Echinococcus multilocularis Polycystic kidney disease protein 0.0272 0.1563 0.1473
Plasmodium vivax perforin-like protein 5 0.0151 0.0811 0.4404
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0291 0.1679 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0595 0.3573 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0248 0.0137
Loa Loa (eye worm) hypothetical protein 0.0061 0.0248 0.0948
Echinococcus granulosus nuclear factor of activated T cells 5 0.0073 0.0325 0.0221
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0248 0.0137
Loa Loa (eye worm) hypothetical protein 0.0039 0.0114 0.0409
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0039 0.0113 0.5
Schistosoma mansoni loxhd1 0.0272 0.1563 0.1467
Trypanosoma cruzi histone deacetylase, putative 0.0056 0.0218 0.7769
Schistosoma mansoni histone deacetylase hda2 0.0056 0.0218 0.0107
Loa Loa (eye worm) doublecortin family protein 0.0272 0.1563 0.6219
Giardia lamblia Fructose-bisphosphate aldolase 0.0595 0.3573 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0595 0.3573 1
Echinococcus multilocularis macrophage expressed protein 0.1367 0.838 0.8362
Plasmodium falciparum perforin-like protein 5 0.0151 0.0811 0.4404
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0291 0.1679 1
Echinococcus granulosus histone deacetylase 6 0.0056 0.0218 0.0114
Echinococcus granulosus lipoxygenase domain containing protein 0.0272 0.1563 0.1473
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0248 0.0144
Echinococcus multilocularis RUN 0.0272 0.1563 0.1473
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.1628 1 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0272 0.1563 0.1473
Trypanosoma cruzi histone deacetylase, putative 0.0056 0.0218 0.7769

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2582, AID2599] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2575] ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.