Detailed information for compound 1489282

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.326 | Formula: C16H19NO4
  • H donors: 2 H acceptors: 3 LogP: 2.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)/C=C/C(=C/C(Oc1ccc(cc1)C(=O)C)C)/C
  • InChi: 1S/C16H19NO4/c1-11(4-9-16(19)17-20)10-12(2)21-15-7-5-14(6-8-15)13(3)18/h4-10,12,20H,1-3H3,(H,17,19)/b9-4+,11-10+
  • InChiKey: JSCXKDWKCHETHU-XNCKMFOHSA-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
Schistosoma mansoni hypothetical protein 0.0047 0.0053 0.0051
Loa Loa (eye worm) hypothetical protein 0.2199 1 1
Plasmodium falciparum topoisomerase I 0.0181 0.0673 0.2369
Mycobacterium ulcerans DNA gyrase subunit B 0.0079 0.0202 0.1284
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0135 0.0463 0.046
Schistosoma mansoni survival motor neuron protein 0.0047 0.0053 0.0051
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0152 0.0539 0.7997
Onchocerca volvulus 0.0372 0.1555 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0135 0.0463 0.4028
Leishmania major mitochondrial DNA topoisomerase II 0.0152 0.0539 0.7997
Onchocerca volvulus 0.0372 0.1555 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0091 0.026 0.1376
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0372 0.1555 0.1552
Schistosoma mansoni single-minded 0.0047 0.0055 0.0052
Toxoplasma gondii DNA topoisomerase I, putative 0.0181 0.0673 1
Brugia malayi DNA topoisomerase I 0.0181 0.0673 0.0671
Loa Loa (eye worm) hypothetical protein 0.0372 0.1555 0.1552
Echinococcus granulosus para nitrobenzyl esterase 0.0372 0.1555 0.1552
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0135 0.0463 0.046
Plasmodium vivax telomerase reverse transcriptase, putative 0.051 0.2192 1
Leishmania major DNA topoisomerase ii 0.0128 0.0429 0.6353
Schistosoma mansoni gliotactin 0.0372 0.1555 0.1552
Brugia malayi hypothetical protein 0.0158 0.0567 0.0565
Loa Loa (eye worm) carboxylesterase 0.2199 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0079 0.0202 0.2971
Echinococcus multilocularis neuroligin 0.0372 0.1555 0.1552
Loa Loa (eye worm) hypothetical protein 0.0372 0.1555 0.1552
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0372 0.1555 0.1552
Loa Loa (eye worm) hypothetical protein 0.0372 0.1555 0.1552
Loa Loa (eye worm) hypothetical protein 0.0229 0.0895 0.0892
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0091 0.026 0.1376
Brugia malayi Probable DNA topoisomerase II 0.0135 0.0463 0.046
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1144 0.7355
Loa Loa (eye worm) hypothetical protein 0.0372 0.1555 0.1552
Echinococcus granulosus acetylcholinesterase 0.2199 1 1
Loa Loa (eye worm) hypothetical protein 0.2199 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.0873 0.0871
Brugia malayi follicle stimulating hormone receptor 0.0224 0.0873 0.0871
Schistosoma mansoni acetylcholinesterase 0.0372 0.1555 0.1552
Brugia malayi hypothetical protein 0.0229 0.0895 0.0892
Trypanosoma brucei telomerase reverse transcriptase 0.0082 0.0218 0.3208
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0372 0.1555 1
Loa Loa (eye worm) carboxylesterase 0.0372 0.1555 0.1552
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.0895 0.0892
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1144 0.7355
Loa Loa (eye worm) hypothetical protein 0.0372 0.1555 0.1552
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0079 0.0202 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0135 0.0463 0.6856
Echinococcus granulosus carboxylesterase 5A 0.2199 1 1
Onchocerca volvulus 0.0372 0.1555 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.1144 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0372 0.1555 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0372 0.1555 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.0567 0.0565
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1144 0.7355
Schistosoma mansoni DNA topoisomerase type I 0.0181 0.0673 0.0671
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0082 0.0218 0.3208
Loa Loa (eye worm) carboxylesterase 0.0372 0.1555 0.1552
Loa Loa (eye worm) TOPoisomerase family member 0.0135 0.0463 0.046
Schistosoma mansoni DNA topoisomerase type I 0.0181 0.0673 0.0671
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0082 0.0218 0.3208
Echinococcus multilocularis para nitrobenzyl esterase 0.0372 0.1555 0.1552
Onchocerca volvulus 0.0372 0.1555 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0092 0.0089
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.0476 1
Brugia malayi Carboxylesterase family protein 0.0372 0.1555 0.1552
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1144 0.7355
Schistosoma mansoni DNA topoisomerase II 0.0135 0.0463 0.046
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0372 0.1555 0.1552
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0055 0.0052
Loa Loa (eye worm) hypothetical protein 0.0372 0.1555 0.1552
Trypanosoma cruzi DNA topoisomerase II, putative 0.0128 0.0429 0.6353
Schistosoma mansoni microtubule-associated protein tau 0.0668 0.2923 0.2921
Brugia malayi Carboxylesterase family protein 0.2199 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.026 0.0258
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.0476 0.3049
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0152 0.0539 0.7997
Brugia malayi Carboxylesterase family protein 0.0372 0.1555 0.1552
Echinococcus multilocularis acetylcholinesterase 0.2199 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.026 0.0258
Brugia malayi PAS domain containing protein 0.0047 0.0055 0.0052
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0082 0.0218 0.1096
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0181 0.0673 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1144 0.7355
Chlamydia trachomatis DNA gyrase subunit B 0.0079 0.0202 1
Loa Loa (eye worm) acetylcholinesterase 1 0.2199 1 1
Echinococcus granulosus microtubule associated protein 2 0.0668 0.2923 0.2921
Echinococcus multilocularis BC026374 protein (S09 family) 0.0372 0.1555 0.1552
Schistosoma mansoni DNA topoisomerase type I 0.0181 0.0673 0.0671
Brugia malayi Carboxylesterase family protein 0.0372 0.1555 0.1552
Plasmodium falciparum DNA topoisomerase 2 0.0135 0.0463 0.1309
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.1144 1
Leishmania major telomerase reverse transcriptase, putative 0.0082 0.0218 0.3208
Brugia malayi hypothetical protein 0.0372 0.1555 0.1552
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0372 0.1555 0.1552
Loa Loa (eye worm) hypothetical protein 0.0372 0.1555 0.1552
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0135 0.0463 0.046
Echinococcus multilocularis carboxylesterase 5A 0.2199 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0372 0.1555 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0372 0.1555 0.1552
Leishmania major DNA topoisomerase IB, large subunit 0.0181 0.0673 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0135 0.0463 0.2962
Trypanosoma brucei DNA topoisomerase ii 0.0152 0.0539 0.7997
Echinococcus multilocularis acetylcholinesterase 0.2199 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.1144 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.0476 0.2025
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0135 0.0463 0.046
Echinococcus granulosus neuroligin 0.0372 0.1555 0.1552
Schistosoma mansoni hypothetical protein 0.005 0.0069 0.0066
Schistosoma mansoni BC026374 protein (S09 family) 0.0372 0.1555 0.1552
Echinococcus multilocularis DNA topoisomerase 1 0.0181 0.0673 0.0671
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.1144 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0092 0.0089
Plasmodium vivax topoisomerase I, putative 0.0181 0.0673 0.2369
Trypanosoma cruzi DNA topoisomerase II, putative 0.0128 0.0429 0.6353
Loa Loa (eye worm) DNA topoisomerase I 0.0181 0.0673 0.0671
Plasmodium vivax DNA topoisomerase II, putative 0.0135 0.0463 0.1309
Onchocerca volvulus 0.0372 0.1555 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1144 0.7355
Toxoplasma gondii RNA-directed DNA polymerase 0.0082 0.0218 0.3208
Schistosoma mansoni neuroligin 3 (S09 family) 0.0372 0.1555 0.1552
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0128 0.0429 0.6353
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1144 0.7355
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.0511 0.0508
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.0895 0.0892
Plasmodium falciparum telomerase reverse transcriptase 0.051 0.2192 1
Echinococcus granulosus acetylcholinesterase 0.2199 1 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0128 0.0429 0.6353
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2199 1 1
Giardia lamblia DNA topoisomerase II 0.0128 0.043 0.229
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0372 0.1555 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0091 0.026 0.1376
Brugia malayi Carboxylesterase family protein 0.0372 0.1555 0.1552
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0181 0.0673 1
Echinococcus multilocularis microtubule associated protein 2 0.0668 0.2923 0.2921
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1144 0.7355
Echinococcus granulosus BC026374 protein S09 family 0.0372 0.1555 0.1552
Echinococcus granulosus DNA topoisomerase 1 0.0181 0.0673 0.0671
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0053 0.0051
Trichomonas vaginalis spcc417.12 protein, putative 0.0372 0.1555 1
Brugia malayi hypoxia-induced factor 1 0.0146 0.0511 0.0508

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

Bibliographic References

No literature references available for this target.

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