Detailed information for compound 1799194

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 344.383 | Formula: C18H21FN4O2
  • H donors: 2 H acceptors: 4 LogP: 2.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)c1nc(C)c(nc1C(=O)Nc1cc(F)ccc1C)C)C
  • InChi: 1S/C18H21FN4O2/c1-9(2)20-17(24)15-16(22-12(5)11(4)21-15)18(25)23-14-8-13(19)7-6-10(14)3/h6-9H,1-5H3,(H,20,24)(H,23,25)
  • InChiKey: WDOYGPHOXYXIGB-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
Toxoplasma gondii heat shock protein 90, putative 0.0034 0.025 0.0964
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0034 0.025 0.025
Echinococcus multilocularis heat shock protein 0.0034 0.025 0.025
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0112 0.0112
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0173 0.0095
Plasmodium vivax hypothetical protein, conserved 0.0034 0.025 1
Trypanosoma cruzi heat shock protein 90, putative 0.0034 0.025 0.038
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0034 0.025 1
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0034 0.025 1
Leishmania major DNA topoisomerase ii 0.0034 0.025 0.0213
Toxoplasma gondii heat shock protein HSP90 0.0034 0.025 0.0964
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0173 0.6929
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0034 0.025 1
Echinococcus granulosus replication factor c subunit 1 0.0011 0.00000034704 0.00000040868
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0149
Chlamydia trachomatis DNA gyrase subunit B 0.0034 0.025 1
Schistosoma mansoni pyruvate dehydrogenase 0.0579 0.6204 0.7306
Giardia lamblia Heat shock protein HSP 90-alpha 0.0034 0.025 1
Loa Loa (eye worm) heat shock protein 90 0.0034 0.025 0.038
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0112 0.017
Schistosoma mansoni endoplasmin 0.0034 0.025 0.0294
Entamoeba histolytica heat shock protein 90, putative 0.0034 0.025 1
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0034 0.025 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0034 0.025 0.0964
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0034 0.025 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0112 0.4479
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0034 0.025 1
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0226 0.2343 0.2343
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0173 0.5311
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0112 0.4479
Trichomonas vaginalis receptor histidine kinase, putative 0.0034 0.025 1
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0098 0.3933
Brugia malayi kinase, mitochondrial precursor 0.0613 0.6577 1
Mycobacterium ulcerans hypothetical protein 0.0027 0.0173 0.6929
Schistosoma mansoni DNA topoisomerase II 0.0034 0.025 0.0294
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.00000034704 0.00000034704
Brugia malayi heat shock protein 90 0.0034 0.025 0.038
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Echinococcus granulosus heat shock protein 0.0034 0.025 0.0294
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0173 0.0263
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0112 0.0132
Schistosoma mansoni ap endonuclease 0.0021 0.0112 0.0132
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0034 0.025 1
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0034 0.025 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0112 0.1571
Echinococcus multilocularis microtubule associated protein 2 0.0789 0.8492 0.8492
Schistosoma mansoni serine/threonine protein kinase 0.0226 0.2343 0.2759
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0034 0.025 0.038
Leishmania major hypothetical protein, conserved 0.0034 0.025 0.0213
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0034 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.025 0.038
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Trichomonas vaginalis endoplasmin, putative 0.0034 0.025 1
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0034 0.025 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0034 0.025 0.0964
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0034 0.025 1
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0034 0.025 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0034 0.025 0.0294
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Trypanosoma brucei heat shock protein, putative 0.0034 0.025 0.038
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0034 0.025 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0173 0.6929
Echinococcus multilocularis heat shock protein 90 0.0034 0.025 0.025
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0112 0.4479
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0034 0.025 1
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0098 0.3933
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0034 0.025 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0034 0.025 0.038
Plasmodium vivax DNA gyrase subunit B, putative 0.0034 0.025 1
Trypanosoma brucei heat shock protein, putative 0.0034 0.025 0.038
Leishmania major developmentally regulated phosphoprotein-like protein 0.0613 0.6577 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0226 0.2343 0.3562
Plasmodium falciparum heat shock protein 90 0.0034 0.025 1
Brugia malayi Probable DNA topoisomerase II 0.0034 0.025 0.038
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0098 0.3933
Mycobacterium ulcerans DNA gyrase subunit B 0.0034 0.025 1
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Plasmodium vivax heat shock protein 86, putative 0.0034 0.025 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0173 0.6929
Loa Loa (eye worm) TOPoisomerase family member 0.0034 0.025 0.038
Trypanosoma brucei heat shock protein, putative 0.0034 0.025 0.038
Giardia lamblia Pms1-like protein 0.0034 0.025 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0173 0.0095
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0173 0.6929
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0173 0.6929
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0112 0.4479
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.00000034704 0.000001339
Loa Loa (eye worm) endoplasmin 0.0034 0.025 0.038
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0034 0.025 1
Trypanosoma brucei heat shock protein, putative 0.0034 0.025 0.038
Onchocerca volvulus 0.0027 0.0173 0.6929
Loa Loa (eye worm) hypothetical protein 0.0613 0.6577 1
Mycobacterium ulcerans two component sensor kinase MprB 0.0034 0.025 1
Trypanosoma brucei heat shock protein, putative 0.0034 0.025 0.038
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0034 0.025 1
Schistosoma mansoni pyruvate dehydrogenase 0.0613 0.6577 0.7745
Echinococcus granulosus microtubule associated protein 2 0.0789 0.8492 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0112 0.4479
Mycobacterium tuberculosis Probable two component sensor kinase 0.0034 0.025 1
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0034 0.025 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.0613 0.6577 1
Echinococcus granulosus c-Jun N-terminal kinases 0.0226 0.2343 0.2759
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0034 0.025 1
Trypanosoma brucei heat shock protein, putative 0.0034 0.025 0.038
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0034 0.025 0.038
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0173 0.0095
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Entamoeba histolytica heat shock protein 90, putative 0.0034 0.025 1
Trypanosoma brucei heat shock protein 90, putative 0.0034 0.025 0.038
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0149
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0034 0.025 1
Trypanosoma brucei heat shock protein 90, putative 0.0034 0.025 0.038
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0098 0.3933
Trichomonas vaginalis sensor histidine kinase, putative 0.0034 0.025 1
Trypanosoma brucei heat shock protein, putative 0.0034 0.025 0.038
Plasmodium falciparum DNA topoisomerase 2 0.0034 0.025 1
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Loa Loa (eye worm) hypothetical protein 0.0027 0.0173 0.0263
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0112 0.4479
Trichomonas vaginalis heat shock protein, putative 0.0034 0.025 1
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0034 0.025 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0112 0.017
Plasmodium falciparum DNA gyrase subunit B 0.0034 0.025 1
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0034 0.025 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0034 0.025 1
Trypanosoma brucei heat shock protein, putative 0.0034 0.025 0.038
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0034 0.025 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0173 0.6929
Schistosoma mansoni ap endonuclease 0.0021 0.0112 0.0132
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0034 0.025 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0149
Schistosoma mansoni heat shock protein 0.0034 0.025 0.0294
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0214 0.2219 0.3374
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0034 0.025 0.038
Plasmodium falciparum endoplasmin, putative 0.0034 0.025 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0173 0.0263
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0034 0.025 1
Mycobacterium leprae Probable two component sensor kinase MprB 0.0034 0.025 1
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0214 0.2219 0.3374
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0173 0.6929
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0034 0.025 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0034 0.025 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0248 0.2592 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0173 0.6929
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.025 0.038
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0034 0.025 1
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0214 0.2219 0.326
Chlamydia trachomatis DNA gyrase subunit B 0.0034 0.025 1
Mycobacterium ulcerans two component regulator - sensor kinase 0.0034 0.025 1
Plasmodium vivax endoplasmin, putative 0.0034 0.025 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0034 0.025 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0098 0.0738
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.025 0.038
Plasmodium vivax DNA topoisomerase II, putative 0.0034 0.025 1
Schistosoma mansoni endoplasmin 0.0034 0.025 0.0294
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0613 0.6577 0.6577
Trypanosoma cruzi Heat shock protein 83, putative 0.0034 0.025 0.038
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0034 0.025 1
Mycobacterium tuberculosis Possible two component sensor kinase 0.0034 0.025 1
Trypanosoma brucei Heat shock protein 83, putative 0.0034 0.025 0.038
Mycobacterium leprae Probable two-component sensor kinase 0.0034 0.025 1
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.025 0.038
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0034 0.025 0.038
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0112 0.4479
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0613 0.6577 0.7745
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0034 0.025 1
Echinococcus granulosus heat shock protein 90 0.0034 0.025 0.0294
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0613 0.6577 0.6577
Mycobacterium ulcerans putative regultory protein 0.0034 0.025 1
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0034 0.025 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.00000034704 0.00000040868
Loa Loa (eye worm) hypothetical protein 0.0027 0.0173 0.0263
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0034 0.025 0.038
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0173 0.0263
Toxoplasma gondii exonuclease III APE 0.0021 0.0112 0.0432
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0613 0.6577 1
Trypanosoma brucei DNA topoisomerase ii 0.0034 0.025 0.038
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0034 0.025 0.0964
Trichomonas vaginalis DNA topoisomerase II, putative 0.0034 0.025 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0173 0.6929
Brugia malayi Endoplasmin precursor 0.0034 0.025 0.038
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0034 0.025 1
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0112 0.4479
Loa Loa (eye worm) hypothetical protein 0.0027 0.0173 0.0263
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0173 0.5311
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0034 0.025 0.038
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0112 0.017
Trichomonas vaginalis heat shock protein, putative 0.0034 0.025 1
Schistosoma mansoni pyruvate dehydrogenase 0.0579 0.6204 0.7306
Leishmania major mitochondrial DNA topoisomerase II 0.0034 0.025 0.0213
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0034 0.025 0.038
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0149
Trypanosoma cruzi DNA topoisomerase II, putative 0.0034 0.025 0.038
Schistosoma mansoni heat shock protein 0.0034 0.025 0.0294
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0149
Trypanosoma cruzi DNA topoisomerase II, putative 0.0034 0.025 0.038
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0034 0.025 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0034 0.025 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0173 0.6929
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0112 0.017
Mycobacterium tuberculosis Conserved protein 0.0034 0.025 1
Schistosoma mansoni microtubule-associated protein tau 0.0789 0.8492 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0112 0.4479
Trypanosoma cruzi heat shock protein 90, putative 0.0034 0.025 0.038
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0034 0.025 1
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0214 0.2219 0.8562
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0173 0.6929
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0226 0.2343 0.3562
Loa Loa (eye worm) hypothetical protein 0.0034 0.025 0.038
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0034 0.025 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0112 0.017
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0173 0.6929
Leishmania major heat shock protein 83-1 0.0034 0.025 0.0213

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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