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

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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