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