Detailed information for compound 1999637

Basic information

Technical information
  • TDR Targets ID: 1999637
  • Name: 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2- ylphenyl)acetamide
  • MW: 423.51 | Formula: C26H25N5O
  • H donors: 1 H acceptors: 3 LogP: 3.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)c1cnc2c(n1)cccc2)CN1CCN(CC1)c1ccccc1
  • InChi: 1S/C26H25N5O/c32-26(19-30-13-15-31(16-14-30)22-9-2-1-3-10-22)28-21-8-6-7-20(17-21)25-18-27-23-11-4-5-12-24(23)29-25/h1-12,17-18H,13-16,19H2,(H,28,32)
  • InChiKey: KANPWRCCZWMBEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-phenyl-1-piperazinyl)-N-[3-(2-quinoxalinyl)phenyl]acetamide
  • 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)ethanamide
  • 7T-0066

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Janus kinase 2 Starlite/ChEMBL No references
Homo sapiens Janus kinase 3 Starlite/ChEMBL No references

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
Trypanosoma brucei DNA topoisomerase ii 0.0613 0.3368 1
Brugia malayi RNA binding protein 0.0077 0.0231 0.1241
Echinococcus granulosus transcription factor btf3 0.0042 0.003 0.0159
Brugia malayi beta-NAC-like protein 0.0042 0.003 0.0159
Mycobacterium ulcerans hypothetical protein 0.0242 0.1196 0.1113
Mycobacterium leprae Isocitrate lyase 0.0463 0.2486 0.3321
Brugia malayi jmjC domain containing protein 0.014 0.0601 0.3226
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0053 0.0094 0.0094
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.0519 0.0418
Giardia lamblia DNA topoisomerase II 0.0333 0.1727 1
Mycobacterium ulcerans DNA polymerase III subunit alpha 0.1279 0.726 0.7234
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0105 0.0561
Leishmania major DNA topoisomerase III, putative 0.0053 0.0094 0.0279
Toxoplasma gondii DNA topoisomerase 2, putative 0.0356 0.1864 0.1864
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.1747 1 1
Trypanosoma brucei trypanothione reductase 0.0055 0.0105 0.0311
Mycobacterium leprae PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE) 0.1285 0.7298 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.014 0.0601 0.3226
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.0987 0.5552 0.5505
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0613 0.3368 1
Brugia malayi glutathione reductase 0.0055 0.0105 0.0561
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.0601 0.0502
Brugia malayi RNA recognition motif domain containing protein 0.0077 0.0231 0.1241
Loa Loa (eye worm) TOPoisomerase family member 0.0356 0.1864 1
Chlamydia trachomatis DNA gyrase subunit A 0.0181 0.0842 0.0756
Echinococcus multilocularis transcription factor btf3 0.0042 0.003 0.0159
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0053 0.0094 0.0503
Echinococcus granulosus lysine specific demethylase 5A 0.014 0.0601 0.3226
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0105 0.0561
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.014 0.0601 0.3226
Brugia malayi Thioredoxin reductase 0.0055 0.0105 0.0561
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) 0.0987 0.5552 0.7577
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.014 0.0601 0.3226
Mycobacterium tuberculosis Conserved hypothetical protein 0.0242 0.1196 0.1103
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0053 0.0094 0.0503
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.003 0.003
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0053 0.0094 0.0279
Loa Loa (eye worm) TAR-binding protein 0.0077 0.0231 0.1241
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.0987 0.5552 0.5505
Toxoplasma gondii DNA topoisomerase family protein 0.0053 0.0094 0.0094
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0231 0.1241
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0105 0.0561
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0077 0.0231 0.1241
Plasmodium vivax DNA gyrase subunit A, putative 0.1747 1 1
Echinococcus granulosus geminin 0.0206 0.0985 0.5284
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0833 0.4652 0.6328
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0053 0.0094 0.0503
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.0519 0.0418
Wolbachia endosymbiont of Brugia malayi DNA polymerase III alpha subunit 0.1279 0.726 0.7234
Plasmodium vivax glutathione reductase, putative 0.0055 0.0105 0.0105
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.003 0.0088
Plasmodium vivax DNA topoisomerase II, putative 0.0356 0.1864 0.1864
Mycobacterium ulcerans DNA gyrase subunit B 0.0747 0.4151 0.4096
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0747 0.4151 0.4089
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0303 0.1551 0.4606
Leishmania major basic transcription factor 3a, putative 0.0042 0.003 0.0088
Plasmodium vivax DNA topoisomerase 3, putative 0.0053 0.0094 0.0094
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0257 0.1286 0.1655
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0053 0.0094 0.0279
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.0987 0.5552 0.5505
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0105 0.0311
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase) 0.1285 0.7298 0.727
Mycobacterium ulcerans error-prone DNA polymerase 0.1279 0.726 0.7234
Mycobacterium tuberculosis Probable reductase 0.0126 0.0519 0.0418
Plasmodium falciparum DNA topoisomerase 2 0.0356 0.1864 0.1864
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.0519 0.0418
Schistosoma mansoni hypothetical protein 0.0206 0.0985 0.5284
Entamoeba histolytica DNA topoisomerase III, putative 0.0053 0.0094 0.035
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0053 0.0094 0.0503
Trypanosoma brucei DNA topoisomerase IA, putative 0.0053 0.0094 0.0279
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0231 0.1241
Leishmania major DNA topoisomerase ii 0.0303 0.1551 0.4606
Leishmania major DNA topoisomerase 1A 0.0053 0.0094 0.0279
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.1747 1 1
Leishmania major DNA topoisomerase III, putative 0.0053 0.0094 0.0279
Echinococcus multilocularis tar DNA binding protein 0.0077 0.0231 0.1241
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.1747 1 1
Chlamydia trachomatis DNA polymerase III subunit alpha 0.1279 0.726 0.7234
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0356 0.1864 1
Plasmodium falciparum thioredoxin reductase 0.0055 0.0105 0.0105
Trypanosoma cruzi DNA topoisomerase III, putative 0.0053 0.0094 0.0279
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0053 0.0094 0.035
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0231 0.1241
Chlamydia trachomatis DNA gyrase subunit B 0.0747 0.4151 0.4096
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0231 0.1241
Trypanosoma cruzi DNA topoisomerase II, putative 0.0303 0.1551 0.4606
Schistosoma mansoni hypothetical protein 0.0206 0.0985 0.5284
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0126 0.0519 0.059
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0356 0.1864 1
Plasmodium falciparum DNA topoisomerase 3, putative 0.0053 0.0094 0.0094
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0356 0.1864 1
Brugia malayi GRF zinc finger family protein 0.0053 0.0094 0.0503
Loa Loa (eye worm) hypothetical protein 0.0121 0.049 0.263
Loa Loa (eye worm) ICD-1 protein 0.0042 0.003 0.0159
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.0601 0.0502
Loa Loa (eye worm) hypothetical protein 0.0181 0.0842 0.452
Plasmodium falciparum glutathione reductase 0.0055 0.0105 0.0105
Trypanosoma brucei DNA topoisomerase III, putative 0.0053 0.0094 0.0279
Plasmodium vivax DNA gyrase subunit B, putative 0.0747 0.4151 0.4151
Brugia malayi Probable DNA topoisomerase II 0.0356 0.1864 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.0601 0.0502
Schistosoma mansoni DNA topoisomerase II 0.0356 0.1864 1
Brugia malayi DNA topoisomerase III 0.0053 0.0094 0.0503
Echinococcus granulosus tar DNA binding protein 0.0077 0.0231 0.1241
Treponema pallidum DNA polymerase III subunit alpha 0.1279 0.726 0.7234
Schistosoma mansoni transcription factor btf3 0.0042 0.003 0.0159
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0432 0.2307 0.2307
Trypanosoma cruzi DNA topoisomerase III, putative 0.0053 0.0094 0.0279
Loa Loa (eye worm) hypothetical protein 0.0181 0.0842 0.452
Trypanosoma cruzi DNA topoisomerase II, putative 0.0303 0.1551 0.4606
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0356 0.1864 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.0601 0.0704
Leishmania major mitochondrial DNA topoisomerase II 0.0613 0.3368 1
Schistosoma mansoni jumonji domain containing protein 0.014 0.0601 0.3226
Echinococcus multilocularis rho GTPase activating protein 20 0.0053 0.0094 0.0503
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0747 0.4151 0.4096
Mycobacterium ulcerans DNA gyrase subunit A 0.1747 1 1
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.003 0.0088
Loa Loa (eye worm) jmjC domain-containing protein 0.014 0.0601 0.3226
Echinococcus multilocularis lysine specific demethylase 5A 0.014 0.0601 0.3226
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase) 0.1285 0.7298 0.727
Toxoplasma gondii NAC domain-containing protein 0.0042 0.003 0.003
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.003 0.0088
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0747 0.4151 0.4096
Leishmania major trypanothione reductase 0.0055 0.0105 0.0311
Echinococcus multilocularis geminin 0.0206 0.0985 0.5284
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0613 0.3368 1
Plasmodium falciparum DNA gyrase subunit B 0.0747 0.4151 0.4151
Loa Loa (eye worm) DNA topoisomerase III 0.0053 0.0094 0.0503
Schistosoma mansoni jumonji/arid domain-containing protein 0.014 0.0601 0.3226
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0356 0.1864 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.049 0.263
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1747 1 1
Entamoeba histolytica DNA topoisomerase III, putative 0.0053 0.0094 0.035
Entamoeba histolytica DNA topoisomerase II, putative 0.0356 0.1864 1
Mycobacterium ulcerans isocitrate lyase Icl 0.0987 0.5552 0.551
Toxoplasma gondii thioredoxin reductase 0.0055 0.0105 0.0105
Trypanosoma cruzi DNA topoisomerase III, putative 0.0053 0.0094 0.0279
Chlamydia trachomatis DNA gyrase subunit B 0.049 0.2647 0.2577
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0231 0.1241
Mycobacterium ulcerans isocitrate lyase AceAb 0.0987 0.5552 0.551
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.0519 0.0418
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0053 0.0094 0.0503
Brugia malayi jmjC domain containing protein 0.014 0.0601 0.3226
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0303 0.1551 0.4606
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0356 0.1864 1
Trypanosoma brucei DNA topoisomerase III, putative 0.0053 0.0094 0.0279
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0356 0.1864 1
Brugia malayi TAR-binding protein 0.0077 0.0231 0.1241
Loa Loa (eye worm) RNA binding protein 0.0077 0.0231 0.1241
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0053 0.0094 0.035
Trichomonas vaginalis DNA topoisomerase II, putative 0.0356 0.1864 1
Loa Loa (eye worm) glutathione reductase 0.0055 0.0105 0.0561
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0053 0.0094 0.0503
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0105 0.0105
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.003 0.003
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.0519 0.0418
Plasmodium falciparum DNA gyrase subunit A 0.1747 1 1
Brugia malayi DNA topoisomerase III beta-1 0.0053 0.0094 0.0503

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 270 nM In Vitro Kinase Enzyme Assay BINDINGDB. No reference
IC50 (binding) = 18000 nM In Vitro Kinase Enzyme Assay BINDINGDB. No reference
IC50 (binding) > 20000 nM BindingDB_Patents: In Vitro Kinase Enzyme Assay. In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2. ChEMBL. No reference
IC50 (binding) > 20000 nM In Vitro Kinase Enzyme Assay BINDINGDB. 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.

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