Detailed information for compound 1797707

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 250.376 | Formula: C16H26O2
  • H donors: 0 H acceptors: 1 LogP: 5.65 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCc1cc(C)cc(=O)o1
  • InChi: 1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-15-12-14(2)13-16(17)18-15/h12-13H,3-11H2,1-2H3
  • InChiKey: FMIVAOXSTHHCGF-UHFFFAOYSA-N  

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
Entamoeba histolytica heat shock protein 90, putative 0.0421 0.0487 0.1893
Schistosoma mansoni phosphoglycerate mutase 0.0057 0.0002 0.0002
Trypanosoma brucei heat shock protein, putative 0.0421 0.0487 0.0485
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.013 0.0099 0.0099
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0002 0.0002
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0421 0.0487 1
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0421 0.0487 0.1893
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.7567 1 1
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Brugia malayi MH2 domain containing protein 0.0144 0.0118 0.0118
Echinococcus multilocularis p2X purinoceptor 4 0.0282 0.0302 0.0302
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0421 0.0487 1
Schistosoma mansoni 6-phosphofructokinase 0.3357 0.4396 0.4396
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.2645 0.3448 0.3447
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3357 0.4396 0.4395
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0421 0.0487 0.1893
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0421 0.0487 0.1893
Schistosoma mansoni serine/threonine protein kinase 0.0132 0.0102 0.0102
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.3066 0.4008 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0099 0.0099
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0002 0.0002
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.33 0.432 0.4319
Schistosoma mansoni heat shock protein 0.0421 0.0487 0.0487
Giardia lamblia Hypothetical protein 0.1981 0.2564 1
Echinococcus granulosus p2X purinoceptor 4 0.0282 0.0302 0.0302
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Plasmodium falciparum DNA gyrase subunit B 0.0421 0.0487 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0118 0.0118
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0421 0.0487 0.121
Chlamydia trachomatis DNA gyrase subunit B 0.0421 0.0487 1
Trypanosoma cruzi heat shock protein 85, putative 0.0421 0.0487 0.0485
Trichomonas vaginalis DNA topoisomerase II, putative 0.0421 0.0487 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0421 0.0487 0.0485
Trypanosoma brucei DNA topoisomerase ii 0.0421 0.0487 0.0485
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0421 0.0487 0.0487
Leishmania major DNA topoisomerase ii 0.0421 0.0487 0.0485
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.2645 0.3448 0.8601
Mycobacterium tuberculosis Conserved protein 0.0421 0.0487 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0421 0.0487 0.0487
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0421 0.0487 1
Trypanosoma brucei heat shock protein, putative 0.0421 0.0487 0.0485
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0421 0.0487 0.5
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0057 0.0002 0.0002
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0421 0.0487 0.0485
Loa Loa (eye worm) hypothetical protein 0.0057 0.0002 0.0002
Brugia malayi Probable DNA topoisomerase II 0.0421 0.0487 0.0487
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0002 0.0002
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1432 0.1833 0.1832
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3357 0.4396 0.4395
Trypanosoma brucei developmentally regulated phosphoprotein 0.7567 1 1
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.3357 0.4396 0.4396
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1981 0.2564 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1036 0.1036
Brugia malayi Protein kinase domain containing protein 0.013 0.0099 0.0099
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0421 0.0487 1
Brugia malayi heat shock protein 90 0.0421 0.0487 0.0487
Schistosoma mansoni endoplasmin 0.0421 0.0487 0.0487
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.7567 1 1
Mycobacterium tuberculosis Probable two component sensor kinase 0.0421 0.0487 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0421 0.0487 0.0485
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0421 0.0487 1
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0421 0.0487 1
Trypanosoma brucei heat shock protein, putative 0.0421 0.0487 0.0485
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0421 0.0487 0.121
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0421 0.0487 1
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0421 0.0487 0.1893
Trypanosoma brucei heat shock protein, putative 0.0421 0.0487 0.0485
Onchocerca volvulus 0.3357 0.4396 1
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0421 0.0487 1
Toxoplasma gondii heat shock protein 90, putative 0.0421 0.0487 0.121
Mycobacterium leprae Probable two-component sensor kinase 0.0421 0.0487 1
Schistosoma mansoni endoplasmin 0.0421 0.0487 0.0487
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1036 0.1036
Echinococcus multilocularis p2X purinoceptor 4 0.0282 0.0302 0.0302
Giardia lamblia Hypothetical protein 0.1981 0.2564 1
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0421 0.0487 1
Trypanosoma cruzi heat shock protein 85, putative 0.0421 0.0487 0.0485
Echinococcus granulosus p2X purinoceptor 4 0.0282 0.0302 0.0302
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.2645 0.3448 0.3447
Loa Loa (eye worm) endoplasmin 0.0421 0.0487 0.0487
Mycobacterium leprae Probable two component sensor kinase MprB 0.0421 0.0487 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0421 0.0487 0.1893
Loa Loa (eye worm) phosphoglycerate mutase 0.0057 0.0002 0.0002
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0421 0.0487 0.1893
Trypanosoma brucei heat shock protein, putative 0.0421 0.0487 0.0485
Mycobacterium ulcerans two component sensor kinase MprB 0.0421 0.0487 0.1893
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0057 0.0002 0.0002
Trypanosoma brucei heat shock protein, putative 0.0421 0.0487 0.0485
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0421 0.0487 0.0485
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0421 0.0487 1
Leishmania major hypothetical protein, conserved 0.0421 0.0487 0.0485
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.013 0.0099 0.0099
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0421 0.0487 0.0485
Schistosoma mansoni hypothetical protein 0.0057 0.0002 0.0002
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.33 0.432 0.432
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0421 0.0487 1
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1981 0.2564 1
Trypanosoma brucei heat shock protein 90, putative 0.0421 0.0487 0.0485
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1432 0.1833 0.1832
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0421 0.0487 0.5
Brugia malayi UBASH3A protein homolog 0.0057 0.0002 0.0002
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0421 0.0487 0.1104
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1432 0.1833 0.1832
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0057 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.3357 0.4396 0.4396
Trypanosoma cruzi heat shock protein 90, putative 0.0421 0.0487 0.0485
Schistosoma mansoni hypothetical protein 0.0057 0.0002 0.0002
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.7567 1 1
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0421 0.0487 0.0485
Leishmania major mitochondrial DNA topoisomerase II 0.0421 0.0487 0.0485
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0421 0.0487 0.5
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0421 0.0487 0.1893
Entamoeba histolytica heat shock protein 90, putative 0.0421 0.0487 0.1893
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0002 0.0002
Schistosoma mansoni P2X receptor subunit 0.0282 0.0302 0.0302
Schistosoma mansoni heat shock protein 0.0421 0.0487 0.0487
Mycobacterium ulcerans two component regulator - sensor kinase 0.0421 0.0487 0.1893
Entamoeba histolytica DNA topoisomerase II, putative 0.0421 0.0487 0.1893
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0002 0.0002
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0002 0.0002
Trypanosoma brucei heat shock protein, putative 0.0421 0.0487 0.0485
Loa Loa (eye worm) hypothetical protein 0.0057 0.0002 0.0002
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.7567 1 1
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.33 0.432 0.4319
Loa Loa (eye worm) hypothetical protein 0.7567 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0421 0.0487 0.0485
Echinococcus multilocularis heat shock protein 0.0421 0.0487 0.0487
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0421 0.0487 1
Schistosoma mansoni hypothetical protein 0.0057 0.0002 0.0002
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3357 0.4396 0.4395
Plasmodium falciparum heat shock protein 90 0.0421 0.0487 1
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Loa Loa (eye worm) heat shock protein 90 0.0421 0.0487 0.0487
Schistosoma mansoni P2X receptor subunit 0.0282 0.0302 0.0302
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3357 0.4396 0.4395
Echinococcus granulosus p2X purinoceptor 4 0.0282 0.0302 0.0302
Trypanosoma cruzi heat shock protein 90, putative 0.0421 0.0487 0.0485
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0057 0.0002 0.0002
Trichomonas vaginalis receptor histidine kinase, putative 0.0421 0.0487 1
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Echinococcus granulosus heat shock protein 0.0421 0.0487 0.0487
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0057 0.0002 0.0002
Trichomonas vaginalis heat shock protein, putative 0.0421 0.0487 1
Trypanosoma cruzi heat shock protein 85, putative 0.0421 0.0487 0.0485
Plasmodium vivax hypothetical protein, conserved 0.0421 0.0487 1
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Brugia malayi phosphoglycerate mutase family protein 0.0057 0.0002 0.0002
Brugia malayi phosphoglycerate mutase family protein 0.0057 0.0002 0.0002
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.33 0.432 0.4319
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.2645 0.3448 0.3447
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0002 0.0002
Plasmodium falciparum DNA topoisomerase 2 0.0421 0.0487 1
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0421 0.0487 0.1893
Schistosoma mansoni pyruvate dehydrogenase 0.7146 0.944 0.944
Schistosoma mansoni P2X receptor subunit 0.0282 0.0302 0.0302
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0421 0.0487 1
Schistosoma mansoni hypothetical protein 0.0057 0.0002 0.0002
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1432 0.1833 0.1832
Trypanosoma brucei heat shock protein, putative 0.0421 0.0487 0.0485
Plasmodium vivax heat shock protein 86, putative 0.0421 0.0487 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0099 0.0099
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.3357 0.4396 0.4396
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Mycobacterium ulcerans putative regultory protein 0.0421 0.0487 0.1893
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.33 0.432 0.4319
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0421 0.0487 0.0487
Mycobacterium tuberculosis Possible two component sensor kinase 0.0421 0.0487 1
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0421 0.0487 0.1893
Schistosoma mansoni pyruvate dehydrogenase 0.7146 0.944 0.944
Schistosoma mansoni phosphoglycerate mutase 0.0057 0.0002 0.0002
Leishmania major developmentally regulated phosphoprotein-like protein 0.7567 1 1
Trichomonas vaginalis sensor histidine kinase, putative 0.0421 0.0487 1
Trichomonas vaginalis heat shock protein, putative 0.0421 0.0487 1
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0002 0.0002
Toxoplasma gondii DNA topoisomerase 2, putative 0.0421 0.0487 0.121
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0421 0.0487 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0421 0.0487 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0421 0.0487 1
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0002 0.0002
Chlamydia trachomatis DNA gyrase subunit B 0.0421 0.0487 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0421 0.0487 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0421 0.0487 0.1104
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Echinococcus multilocularis p2X purinoceptor 4 0.0282 0.0302 0.0302
Schistosoma mansoni P2X receptor subunit 0.0282 0.0302 0.0302
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0421 0.0487 1
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0002 0.0002
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0421 0.0487 0.0485
Plasmodium vivax endoplasmin, putative 0.0421 0.0487 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0421 0.0487 1
Mycobacterium ulcerans hypothetical protein 0.1981 0.2564 1
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0421 0.0487 1
Schistosoma mansoni pyruvate dehydrogenase 0.7567 1 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0421 0.0487 0.1104
Toxoplasma gondii heat shock protein HSP90 0.0421 0.0487 0.121
Echinococcus granulosus heat shock protein 90 0.0421 0.0487 0.0487
Trypanosoma cruzi DNA topoisomerase II, putative 0.0421 0.0487 0.0485
Plasmodium falciparum endoplasmin, putative 0.0421 0.0487 1
Echinococcus multilocularis heat shock protein 90 0.0421 0.0487 0.0487
Loa Loa (eye worm) hypothetical protein 0.0057 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0421 0.0487 0.0487
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Leishmania major heat shock protein 83-1 0.0421 0.0487 0.0485
Schistosoma mansoni hypothetical protein 0.0057 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0421 0.0487 0.0487
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0421 0.0487 1
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0421 0.0487 0.0485
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0421 0.0487 1
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0421 0.0487 1
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.013 0.0099 0.0099
Schistosoma mansoni DNA topoisomerase II 0.0421 0.0487 0.0487
Loa Loa (eye worm) TOPoisomerase family member 0.0421 0.0487 0.0487
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0421 0.0487 1
Plasmodium vivax DNA topoisomerase II, putative 0.0421 0.0487 1
Loa Loa (eye worm) hypothetical protein 0.1925 0.2489 0.2489
Loa Loa (eye worm) hypothetical protein 0.0057 0.0002 0.0002
Trichomonas vaginalis endoplasmin, putative 0.0421 0.0487 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0421 0.0487 0.0487
Trypanosoma brucei Heat shock protein 83, putative 0.0421 0.0487 0.0485
Brugia malayi Endoplasmin precursor 0.0421 0.0487 0.0487
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1036 0.1036

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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