Detailed information for compound 5164

Basic information

Technical information
  • TDR Targets ID: 5164
  • Name: 1,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)pheny l]piperazine
  • MW: 374.482 | Formula: C22H26N6
  • H donors: 2 H acceptors: 0 LogP: 1.56 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CN=C(N1)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C1=NCCN1
  • InChi: 1S/C22H26N6/c1-5-19(6-2-17(1)21-23-9-10-24-21)27-13-15-28(16-14-27)20-7-3-18(4-8-20)22-25-11-12-26-22/h1-8H,9-16H2,(H,23,24)(H,25,26)
  • InChiKey: SBVUTMQIJNCYIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,4-bis[4-(2-imidazolin-2-yl)phenyl]piperazine
  • 1,4-Bis(4-(2-imidazolin-2-yl)phenyl)piperazine
  • AIDS-095276
  • AIDS095276

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL 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
Trichomonas vaginalis tubulin gamma chain, putative 0.177518 0.517788 0.514389
Brugia malayi Probable DNA topoisomerase II 0.00673212 0.0110538 0.0063581
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.00673212 0.0110538 0.0063581
Brugia malayi thymidylate synthase 0.0112794 0.0245459 0.0199143
Echinococcus granulosus Tubulin beta 2C chain 0.340038 1 1
Loa Loa (eye worm) tubulin alpha 2 0.163973 0.477601 0.477601
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.163973 0.477601 0.473918
Trypanosoma brucei alpha tubulin 0.241049 0.706291 0.704323
Mycobacterium leprae cell division protein FtsZ 0.077076 0.21977 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.140608 0.408273 0.408273
Trichomonas vaginalis tubulin beta chain, putative 0.340038 1 1
Schistosoma mansoni alpha tubulin 0.241049 0.706291 0.704897
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0158788 0.0381926 0.0274422
Trypanosoma cruzi zeta tubulin, putative 0.077076 0.21977 0.214541
Leishmania major beta tubulin 0.340038 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.241049 0.706291 0.704221
Loa Loa (eye worm) hypothetical protein 0.0045352 0.00453534 0.00453534
Leishmania major beta tubulin 0.340038 1 1
Chlamydia trachomatis dihydrofolate reductase 0.00459936 0.00472572 1
Entamoeba histolytica tubulin gamma chain 0.177518 0.517788 0.512398
Schistosoma mansoni tubulin subunit beta 0.340038 1 1
Brugia malayi Tubulin alpha-2 chain 0.241049 0.706291 0.704897
Loa Loa (eye worm) tubulin alpha 2 0.0635315 0.179582 0.179582
Leishmania major beta tubulin 0.340038 1 1
Echinococcus granulosus tubulin alpha chain 0.241049 0.706291 0.704897
Echinococcus multilocularis Tubulin beta 2C chain 0.340038 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.077076 0.21977 0.21427
Echinococcus multilocularis Tubulin beta 2C chain 0.340038 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.340038 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.177518 0.517788 0.515499
Trichomonas vaginalis tubulin, putative 0.340038 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.340038 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.100442 0.289097 0.284086
Trichomonas vaginalis tubulin alpha chain, putative 0.100442 0.289097 0.284086
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Plasmodium vivax tubulin alpha chain, putative 0.241049 0.706291 0.703008
Leishmania major beta tubulin 0.340038 1 1
Loa Loa (eye worm) TOPoisomerase family member 0.00673212 0.0110538 0.0110538
Loa Loa (eye worm) hypothetical protein 0.140608 0.408273 0.408273
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Trichomonas vaginalis tubulin beta chain, putative 0.241049 0.706291 0.704221
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.077076 0.21977 0.211049
Trypanosoma cruzi tubulin delta chain 0.077076 0.21977 0.214541
Leishmania major beta tubulin 0.340038 1 1
Echinococcus multilocularis tubulin alpha chain 0.241049 0.706291 0.704897
Treponema pallidum cell division protein FtsZ 0.077076 0.21977 0.5
Echinococcus multilocularis tubulin alpha chain 0.241049 0.706291 0.704897
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.241049 0.706291 0.704221
Trypanosoma brucei tubulin delta chain 0.077076 0.21977 0.214541
Echinococcus multilocularis tubulin beta 1 chain 0.340038 1 1
Echinococcus multilocularis tubulin alpha chain 0.241049 0.706291 0.704897
Echinococcus granulosus Tubulin alpha 1 chain 0.241049 0.706291 0.704897
Trichomonas vaginalis tubulin gamma chain, putative 0.340038 1 1
Echinococcus granulosus tubulin delta chain 0.077076 0.21977 0.216065
Trypanosoma cruzi alpha tubulin, putative 0.241049 0.706291 0.704323
Giardia lamblia Delta tubulin 0.077076 0.21977 0.211746
Trichomonas vaginalis tubulin alpha chain, putative 0.340038 1 1
Loa Loa (eye worm) alpha-tubulin 0.241049 0.706291 0.706291
Plasmodium falciparum tubulin delta chain, putative 0.077076 0.21977 0.21537
Toxoplasma gondii alpha-tubulin I, putative 0.241049 0.706291 0.703008
Plasmodium falciparum tubulin epsilon chain, putative 0.177518 0.517788 0.515069
Trichomonas vaginalis tubulin epsilon chain, putative 0.340038 1 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.00606004 0.00905967 0.00241864
Echinococcus granulosus tubulin subunit beta 0.340038 1 1
Trypanosoma brucei beta tubulin 0.340038 1 1
Plasmodium falciparum tubulin gamma chain 0.177518 0.517788 0.515069
Plasmodium vivax tubulin alpha chain, putative 0.241049 0.706291 0.703008
Trichomonas vaginalis tubulin beta chain, putative 0.100442 0.289097 0.284086
Schistosoma mansoni alpha tubulin 0.241049 0.706291 0.704897
Trypanosoma brucei zeta tubulin, putative 0.077076 0.21977 0.214541
Echinococcus multilocularis Tubulin beta 2C chain 0.340038 1 1
Trichomonas vaginalis tubulin, putative 0.100442 0.289097 0.284086
Echinococcus granulosus tubulin alpha chain 0.241049 0.706291 0.704897
Loa Loa (eye worm) BEN-1 protein 0.340038 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.077076 0.21977 0.21427
Echinococcus multilocularis Tubulin beta 2C chain 0.340038 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.340038 1 1
Brugia malayi Tubulin beta chain 0.100442 0.289097 0.285722
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Loa Loa (eye worm) BEN-1 protein 0.340038 1 1
Brugia malayi tubulin alpha-2 chain 0.241049 0.706291 0.704897
Echinococcus granulosus alpha tubulin 0.241049 0.706291 0.704897
Echinococcus granulosus Tubulin beta 2C chain 0.340038 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.340038 1 1
Plasmodium vivax delta tubulin, putative 0.077076 0.21977 0.211049
Schistosoma mansoni tubulin subunit beta 0.340038 1 1
Leishmania major zeta tubulin, putative 0.077076 0.21977 0.214541
Trypanosoma cruzi DNA topoisomerase II, putative 0.00606004 0.00905967 0.00241864
Onchocerca volvulus 0.0112794 0.0245459 0.0668056
Brugia malayi Tubulin alpha-2 chain 0.241049 0.706291 0.704897
Trichomonas vaginalis conserved hypothetical protein 0.077076 0.21977 0.21427
Trichomonas vaginalis tubulin alpha chain, putative 0.100442 0.289097 0.284086
Echinococcus multilocularis Tubulin alpha 1 chain 0.241049 0.706291 0.704897
Toxoplasma gondii beta-1 tubulin, putative 0.340038 1 1
Loa Loa (eye worm) tubulin alpha chain 0.241049 0.706291 0.706291
Trichomonas vaginalis tubulin beta chain, putative 0.241049 0.706291 0.704221
Giardia lamblia Alpha-tubulin 0.241049 0.706291 0.703271
Loa Loa (eye worm) tubulin alpha 2 0.163973 0.477601 0.477601
Echinococcus granulosus tubulin epsilon chain 0.177518 0.517788 0.515499
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0158788 0.0381926 0.0317468
Giardia lamblia Epsilon tubulin 0.077076 0.21977 0.211746
Echinococcus multilocularis tubulin alpha chain 0.241049 0.706291 0.704897
Echinococcus granulosus tubulin subunit TubB 0.241049 0.706291 0.704897
Trypanosoma brucei beta tubulin 0.340038 1 1
Schistosoma mansoni tubulin subunit beta 0.340038 1 1
Schistosoma mansoni tubulin subunit alpha 0.077076 0.21977 0.216065
Toxoplasma gondii beta-tubulin, putative 0.340038 1 1
Echinococcus granulosus beta tubulin 0.340038 1 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.00673212 0.0110538 0.00408218
Mycobacterium tuberculosis Hypothetical protein 0.00536593 0.00700017 0.0105767
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Entamoeba histolytica tubulin alpha chain, putative 0.241049 0.706291 0.703008
Leishmania major beta tubulin 0.340038 1 1
Leishmania major beta tubulin 0.340038 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.177518 0.517788 0.514557
Echinococcus granulosus Tubulin alpha 1 chain 0.241049 0.706291 0.704897
Brugia malayi Cell division protein ftsZ 0.077076 0.21977 0.216065
Echinococcus multilocularis tubulin alpha 1C chain 0.241049 0.706291 0.704897
Brugia malayi tubulin alpha chain - mouse 0.241049 0.706291 0.704897
Brugia malayi Tubulin beta chain 0.077076 0.21977 0.216065
Plasmodium falciparum alpha tubulin 1 0.241049 0.706291 0.704635
Loa Loa (eye worm) hypothetical protein 0.0045352 0.00453534 0.00453534
Trichomonas vaginalis tubulin beta chain, putative 0.241049 0.706291 0.704221
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0112794 0.0245459 0.092168
Trichomonas vaginalis tubulin beta chain, putative 0.241049 0.706291 0.704221
Trypanosoma brucei alpha tubulin 0.241049 0.706291 0.704323
Echinococcus granulosus tubulin alpha chain 0.241049 0.706291 0.704897
Schistosoma mansoni alpha tubulin 0.241049 0.706291 0.704897
Trichomonas vaginalis tubulin alpha chain, putative 0.177518 0.517788 0.514389
Schistosoma mansoni DNA topoisomerase II 0.00673212 0.0110538 0.0063581
Loa Loa (eye worm) tubulin gamma chain 0.177518 0.517788 0.517788
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.140608 0.408273 0.404102
Echinococcus multilocularis tubulin alpha chain 0.241049 0.706291 0.704897
Echinococcus granulosus Tubulin beta 2C chain 0.340038 1 1
Plasmodium vivax tubulin beta chain, putative 0.340038 1 1
Brugia malayi Tubulin alpha chain 0.241049 0.706291 0.704897
Loa Loa (eye worm) beta-tubulin 0.340038 1 1
Schistosoma mansoni tubulin subunit beta 0.077076 0.21977 0.216065
Mycobacterium tuberculosis Cell division protein FtsZ 0.077076 0.21977 1
Leishmania major beta tubulin 0.340038 1 1
Brugia malayi beta-tubulin, identical 0.340038 1 1
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Loa Loa (eye worm) hypothetical protein 0.163973 0.477601 0.477601
Leishmania major beta tubulin 0.340038 1 1
Onchocerca volvulus 0.100442 0.289097 1
Leishmania major beta tubulin 0.340038 1 1
Echinococcus granulosus tubulin alpha 0.177518 0.517788 0.515499
Giardia lamblia Gamma tubulin 0.177518 0.517788 0.512829
Trypanosoma brucei epsilon tubulin 0.177518 0.517788 0.514557
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.177518 0.517788 0.512398
Trypanosoma cruzi tubulin gamma chain 0.177518 0.517788 0.514557
Plasmodium vivax tubulin epsilon chain, putative 0.177518 0.517788 0.512398
Leishmania major beta tubulin 0.340038 1 1
Schistosoma mansoni tubulin subunit epsilon 0.177518 0.517788 0.515499
Loa Loa (eye worm) tubulin beta chain 0.340038 1 1
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Schistosoma mansoni tubulin subunit gamma 0.177518 0.517788 0.515499
Echinococcus granulosus tubulin alpha 3 chain 0.241049 0.706291 0.704897
Schistosoma mansoni tubulin subunit alpha 0.241049 0.706291 0.704897
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.00536593 0.00700017 0.000345338
Entamoeba histolytica tubulin family protein 0.340038 1 1
Echinococcus multilocularis tubulin subunit TubB 0.241049 0.706291 0.704897
Giardia lamblia Beta tubulin 0.340038 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.241049 0.706291 0.704897
Leishmania major delta tubulin, putative 0.077076 0.21977 0.214541
Trypanosoma brucei zeta tubulin 0.077076 0.21977 0.214541
Echinococcus granulosus tubulin beta 1 chain 0.340038 1 1
Echinococcus multilocularis hypothetical protein 0.241049 0.706291 0.704897
Loa Loa (eye worm) hypothetical protein 0.241049 0.706291 0.706291
Loa Loa (eye worm) dihydrofolate reductase 0.00459936 0.00472572 0.00472572
Echinococcus multilocularis tubulin alpha 3 chain 0.241049 0.706291 0.704897
Echinococcus granulosus tubulin alpha chain 0.241049 0.706291 0.704897
Leishmania major DNA topoisomerase ii 0.00606004 0.00905967 0.00241864
Leishmania major beta tubulin 0.340038 1 1
Schistosoma mansoni tubulin subunit alpha 0.241049 0.706291 0.704897
Trypanosoma brucei epsilon tubulin 0.177518 0.517788 0.514557
Plasmodium falciparum alpha tubulin 2 0.241049 0.706291 0.704635
Echinococcus granulosus thymidylate synthase 0.0112794 0.0245459 0.0199143
Trypanosoma brucei beta tubulin 0.340038 1 1
Plasmodium falciparum tubulin beta chain 0.340038 1 1
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Trypanosoma cruzi epsilon tubulin, putative 0.177518 0.517788 0.514557
Brugia malayi Tubulin gamma chain 0.177518 0.517788 0.515499
Echinococcus granulosus Tubulin beta 2C chain 0.340038 1 1
Mycobacterium ulcerans thymidylate synthase 0.0112794 0.0245459 0.092168
Schistosoma mansoni tubulin subunit delta 0.077076 0.21977 0.216065
Plasmodium falciparum DNA topoisomerase 2 0.00673212 0.0110538 0.0054773
Echinococcus granulosus Tubulin beta 2C chain 0.340038 1 1
Trypanosoma brucei epsilon tubulin 0.177518 0.517788 0.514557
Echinococcus multilocularis Tubulin alpha 1 chain 0.241049 0.706291 0.704897
Brugia malayi alpha-tubulin 0.241049 0.706291 0.704897
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0158788 0.0381926 0.0327692
Trypanosoma brucei alpha tubulin 0.241049 0.706291 0.704323
Leishmania major gamma-tubulin 0.177518 0.517788 0.514557
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Trypanosoma cruzi beta tubulin, putative 0.340038 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0158788 0.0381926 0.0317468
Trichomonas vaginalis tubulin, putative 0.077076 0.21977 0.21427
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0112794 0.0245459 0.0199143
Echinococcus multilocularis tubulin alpha 1C chain 0.241049 0.706291 0.704897
Trichomonas vaginalis tubulin, putative 0.100442 0.289097 0.284086
Leishmania major beta tubulin 0.340038 1 1
Echinococcus multilocularis beta tubulin 0.340038 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.163973 0.477601 0.477601
Loa Loa (eye worm) tubulin alpha chain 0.241049 0.706291 0.706291
Echinococcus granulosus tubulin alpha chain 0.241049 0.706291 0.704897
Giardia lamblia Beta tubulin 0.340038 1 1
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.077076 0.21977 0.211049
Trypanosoma cruzi tubulin delta chain 0.077076 0.21977 0.214541
Trypanosoma brucei tubulin gamma chain 0.177518 0.517788 0.514557
Echinococcus granulosus tubulin alpha 1C chain 0.241049 0.706291 0.704897
Leishmania major beta tubulin 0.340038 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.241049 0.706291 0.704897
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Trichomonas vaginalis tubulin beta-1 chain, putative 0.077076 0.21977 0.21427
Echinococcus granulosus peroxisome assembly protein 26 0.241049 0.706291 0.704897
Brugia malayi hypothetical protein 0.00536593 0.00700017 0.00228525
Trichomonas vaginalis tubulin gamma chain, putative 0.177518 0.517788 0.514389
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.077076 0.21977 0.5
Echinococcus multilocularis tubulin subunit beta 0.340038 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.340038 1 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.00606004 0.00905967 0.00241864
Leishmania major beta tubulin 0.340038 1 1
Entamoeba histolytica tubulin family protein 0.340038 1 1
Schistosoma mansoni tubulin subunit alpha 0.241049 0.706291 0.704897
Echinococcus multilocularis tubulin alpha 0.177518 0.517788 0.515499
Trypanosoma brucei alpha tubulin, putative 0.100442 0.289097 0.284333
Loa Loa (eye worm) alpha-tubulin 0.241049 0.706291 0.706291
Entamoeba histolytica tubulin alpha-1 chain 0.241049 0.706291 0.703008
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0158788 0.0381926 0.0317468
Echinococcus granulosus tubulin gamma 1 chain 0.177518 0.517788 0.515499
Leishmania major beta tubulin 0.340038 1 1
Toxoplasma gondii beta tubulin 0.340038 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.340038 1 1
Echinococcus multilocularis tubulin delta chain 0.077076 0.21977 0.216065
Trypanosoma cruzi DNA topoisomerase II, putative 0.00606004 0.00905967 0.00241864
Schistosoma mansoni tubulin subunit beta 0.340038 1 1
Echinococcus multilocularis tubulin epsilon chain 0.177518 0.517788 0.515499
Echinococcus granulosus DNA topoisomerase 2 alpha 0.00673212 0.0110538 0.0063581
Echinococcus granulosus tubulin beta 4A class IVa 0.340038 1 1
Leishmania major alpha tubulin 0.241049 0.706291 0.704323
Trypanosoma cruzi zeta tubulin, putative 0.077076 0.21977 0.214541
Brugia malayi Tubulin alpha chain 0.077076 0.21977 0.216065
Leishmania major beta tubulin 0.340038 1 1
Echinococcus multilocularis beta tubulin 0.340038 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.241049 0.706291 0.704897
Echinococcus granulosus beta tubulin 0.340038 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0112794 0.0245459 0.092168
Trypanosoma brucei alpha tubulin 0.241049 0.706291 0.704323
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.00673212 0.0110538 0.0063581
Schistosoma mansoni tubulin subunit beta 0.340038 1 1
Trypanosoma brucei beta tubulin 0.340038 1 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.00673212 0.0110538 0.0063581
Trichomonas vaginalis tubulin beta chain, putative 0.241049 0.706291 0.704221
Mycobacterium ulcerans cell division protein FtsZ 0.077076 0.21977 1
Brugia malayi Tubulin beta-1 chain 0.340038 1 1
Loa Loa (eye worm) tubulin beta chain 0.077076 0.21977 0.21977
Giardia lamblia Alpha-tubulin 0.241049 0.706291 0.703271
Echinococcus granulosus tubulin alpha 1C chain 0.241049 0.706291 0.704897
Giardia lamblia Beta tubulin 0.340038 1 1
Trichomonas vaginalis conserved hypothetical protein 0.077076 0.21977 0.21427
Schistosoma mansoni tubulin subunit beta 0.340038 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0158788 0.0381926 0.0274422
Loa Loa (eye worm) tubulin alpha-2 chain 0.241049 0.706291 0.706291
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.100442 0.289097 0.284086
Echinococcus multilocularis thymidylate synthase 0.0112794 0.0245459 0.0199143
Toxoplasma gondii alpha tubulin TUBA1 0.241049 0.706291 0.703008
Echinococcus multilocularis Tubulin alpha 1 chain 0.241049 0.706291 0.704897
Echinococcus granulosus tubulin alpha 3 chain 0.241049 0.706291 0.704897
Trichomonas vaginalis tubulin epsilon chain, putative 0.241049 0.706291 0.704221
Trichomonas vaginalis tubulin epsilon chain, putative 0.241049 0.706291 0.704221
Plasmodium vivax tubulin gamma chain, putative 0.177518 0.517788 0.512398
Leishmania major beta tubulin 0.340038 1 1
Leishmania major epsilon tubulin, putative 0.177518 0.517788 0.514557
Trypanosoma brucei beta tubulin 0.177518 0.517788 0.514557
Loa Loa (eye worm) thymidylate synthase 0.0112794 0.0245459 0.0245459

Activities

Activity type Activity value Assay description Source Reference
DNA binding (binding) = 15 degrees C DNA binding affinity using calf thymus DNA. ChEMBL. 12620080
DNA binding (binding) = 19.4 degrees C DNA binding affinity using poly(dA-dT). ChEMBL. 12620080
IC50 (binding) Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by beta counting analysis in absence of spermine ChEMBL. 26117647
IC50 (functional) = 13 nM In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (KETRI 269) ChEMBL. 12620080
IC50 (functional) = 13 nM In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (KETRI 269) ChEMBL. 12620080
IC50 (functional) = 13.5 nM In vitro inhibitory concentration against mice infected with Trypanosoma brucei rhodesiense (KETRI 243). ChEMBL. 12620080
IC50 (functional) = 13.5 nM In vitro inhibitory concentration against mice infected with Trypanosoma brucei rhodesiense (KETRI 243). ChEMBL. 12620080
IC50 (functional) = 18.5 nM In vitro inhibitory concentration against mice infected with Trypanosoma brucei pentamidine-sensitive strain (EATRO Lab 110). ChEMBL. 12620080
IC50 (functional) = 18.5 nM In vitro inhibitory concentration against mice infected with Trypanosoma brucei pentamidine-sensitive strain (EATRO Lab 110). ChEMBL. 12620080
IC50 (functional) = 100 nM In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (kETRI 243As-10-3) ChEMBL. 12620080
IC50 (functional) = 100 nM In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (kETRI 243As-10-3) ChEMBL. 12620080
IC50 (binding) = 6.43 uM Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta counting analysis in absence of spermine ChEMBL. 26117647
IC50 (binding) = 18.2 uM Inhibition of [3H]-dizocilpine binding to N-methyl-D-aspartate (NMDA) receptor complex in rat brain membranes ChEMBL. 10340618
IC50 (binding) = 18.2 uM Inhibition of [3H]-dizocilpine binding to N-methyl-D-aspartate (NMDA) receptor complex in rat brain membranes ChEMBL. 10340618
IC50 (binding) = 106 uM Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta counting analysis in presence of 30 uM spermine ChEMBL. 26117647
MSD (functional) day Mean survival dose (10.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured. ChEMBL. 12620080
MSD (functional) day Mean survival dose (5.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured. ChEMBL. 12620080
MSD (functional) day Mean survival dose (2.5 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured. ChEMBL. 12620080
MSD (functional) 0 day Mean survival dose (2.5 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured. ChEMBL. 12620080
MSD (functional) 0 day Mean survival dose (5.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured. ChEMBL. 12620080
MSD (functional) 0 day Mean survival dose (10.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured. ChEMBL. 12620080
MSD (functional) = 10.3 day Mean survival dose (1.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110) ChEMBL. 12620080
MSD (functional) = 10.3 day Mean survival dose (1.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110) ChEMBL. 12620080
MSD (functional) = 19.7 day Mean survival dose (25.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); Compound was toxic. ChEMBL. 12620080
MSD (functional) = 19.7 day Mean survival dose (25.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); Compound was toxic. ChEMBL. 12620080
Ratio (functional) Ratio of number of cured to that of total after intraperitoneal administration of the compound (1.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (0/3 of animals were cured) ChEMBL. 12620080
Ratio (functional) Ratio of number of cured to that of total after intraperitoneal administration of the compound (5.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) ChEMBL. 12620080
Ratio (functional) Ratio of number of cured to that of total after intraperitoneal administration of the compound (10.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) ChEMBL. 12620080
Ratio (functional) Ratio of number of cured to that of total after intraperitoneal administration of the compound (2.5 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) ChEMBL. 12620080
Ratio (functional) Ratio of number of cured to that of total after intraperitoneal administration of the compound (25 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (0/3 of animals were cured) ChEMBL. 12620080
Ratio (functional) 0 Ratio of number of cured to that of total after intraperitoneal administration of the compound (1.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (0/3 of animals were cured) ChEMBL. 12620080
Ratio (functional) 0 Ratio of number of cured to that of total after intraperitoneal administration of the compound (2.5 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) ChEMBL. 12620080
Ratio (functional) 0 Ratio of number of cured to that of total after intraperitoneal administration of the compound (5.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) ChEMBL. 12620080
Ratio (functional) 0 Ratio of number of cured to that of total after intraperitoneal administration of the compound (10.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) ChEMBL. 12620080
Ratio (functional) 0 Ratio of number of cured to that of total after intraperitoneal administration of the compound (25 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (0/3 of animals were cured) ChEMBL. 12620080
Ratio IC50 (binding) = 15.1 Ratio of IC50 for displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor in presence of 30 uM spermine to IC50 for displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor in absence of 30 spermine ChEMBL. 26117647

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei ChEMBL23 12620080
Trypanosoma brucei gambiense 12620080
Mus musculus ChEMBL23 12620080

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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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