Detailed information for compound 1722930

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 512.363 | Formula: C25H20Cl2FN5O2
  • H donors: 1 H acceptors: 4 LogP: 4.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Nc1nc(cc(n1)c1ccccc1Cl)c1cc2cc(F)ccc2nc1Cl)CN1CCOCC1
  • InChi: 1S/C25H20Cl2FN5O2/c26-19-4-2-1-3-17(19)21-13-22(18-12-15-11-16(28)5-6-20(15)29-24(18)27)31-25(30-21)32-23(34)14-33-7-9-35-10-8-33/h1-6,11-13H,7-10,14H2,(H,30,31,32,34)
  • InChiKey: NXGKDYQPPRXLLT-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
Brugia malayi tubulin alpha-2 chain 0.0266 0.3635 0.3635
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Loa Loa (eye worm) tubulin alpha 2 0.0154 0.1767 0.1767
Echinococcus granulosus tubulin alpha 0.0258 0.3496 0.3488
Schistosoma mansoni alpha tubulin 0.0266 0.3635 0.3341
Trypanosoma brucei alpha tubulin, putative 0.0146 0.1627 0.0634
Brugia malayi Tubulin beta chain 0.0112 0.1061 0.1061
Echinococcus multilocularis tubulin alpha 0.0258 0.3496 0.3488
Trichomonas vaginalis tubulin, putative 0.0146 0.1627 0.0634
Trichomonas vaginalis tubulin alpha chain, putative 0.0146 0.1627 0.0634
Trichomonas vaginalis tubulin, putative 0.0146 0.1627 0.0634
Trypanosoma cruzi epsilon tubulin, putative 0.0258 0.3496 0.2724
Schistosoma mansoni alpha tubulin 0.0266 0.3635 0.3341
Echinococcus multilocularis tubulin alpha chain 0.0266 0.3635 0.3628
Loa Loa (eye worm) tubulin gamma chain 0.0258 0.3496 0.3496
Trichomonas vaginalis tubulin epsilon chain, putative 0.0266 0.3635 0.288
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Echinococcus granulosus tubulin alpha 1C chain 0.0266 0.3635 0.3628
Echinococcus granulosus Tubulin alpha 1 chain 0.0266 0.3635 0.3628
Plasmodium vivax tubulin alpha chain, putative 0.0266 0.3635 0.3341
Entamoeba histolytica tubulin alpha-1 chain 0.0266 0.3635 0.0214
Trichomonas vaginalis tubulin beta chain, putative 0.0266 0.3635 0.288
Treponema pallidum cell division protein FtsZ 0.0112 0.1061 1
Echinococcus granulosus tubulin alpha 3 chain 0.0266 0.3635 0.3628
Echinococcus granulosus tubulin subunit TubB 0.0266 0.3635 0.3628
Trypanosoma cruzi tubulin gamma chain 0.0258 0.3496 0.2724
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Plasmodium vivax tubulin alpha chain, putative 0.0266 0.3635 0.3341
Schistosoma mansoni tubulin subunit alpha 0.0266 0.3635 0.3341
Echinococcus multilocularis tubulin gamma 1 chain 0.0258 0.3496 0.3488
Plasmodium vivax tubulin epsilon chain, putative 0.0258 0.3496 0.3195
Echinococcus multilocularis Tubulin alpha 1 chain 0.0266 0.3635 0.3628
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0075 0.0442 0.4103
Loa Loa (eye worm) tubulin alpha chain 0.0266 0.3635 0.3635
Trichomonas vaginalis tubulin gamma chain, putative 0.0258 0.3496 0.2724
Toxoplasma gondii alpha-tubulin I, putative 0.0266 0.3635 0.3341
Loa Loa (eye worm) alpha-tubulin 0.0266 0.3635 0.3635
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Echinococcus granulosus alpha tubulin 0.0266 0.3635 0.3628
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0075 0.0442 0.5
Echinococcus multilocularis tubulin alpha chain 0.0266 0.3635 0.3628
Brugia malayi Tubulin alpha chain 0.0112 0.1061 0.1061
Loa Loa (eye worm) tubulin alpha-3 chain 0.012 0.12 0.12
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0146 0.1627 0.0634
Trichomonas vaginalis tubulin alpha chain, putative 0.0146 0.1627 0.0634
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0266 0.3635 0.288
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0154 0.1767 0.079
Plasmodium falciparum tubulin gamma chain 0.0258 0.3496 0.3195
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.012 0.12 0.0156
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0112 0.1061 1
Echinococcus multilocularis tubulin subunit TubB 0.0266 0.3635 0.3628
Loa Loa (eye worm) alpha-tubulin 0.0266 0.3635 0.3635
Trypanosoma brucei epsilon tubulin 0.0258 0.3496 0.2724
Giardia lamblia Alpha-tubulin 0.0266 0.3635 0.288
Echinococcus granulosus tubulin alpha 1C chain 0.0266 0.3635 0.3628
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0112 0.1061 0.0647
Echinococcus granulosus tubulin alpha chain 0.0266 0.3635 0.3628
Trypanosoma brucei alpha tubulin 0.0266 0.3635 0.288
Echinococcus granulosus tubulin alpha chain 0.0266 0.3635 0.3628
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Plasmodium vivax tubulin gamma chain, putative 0.0258 0.3496 0.3195
Plasmodium falciparum tubulin epsilon chain, putative 0.0258 0.3496 0.3195
Trichomonas vaginalis tubulin beta chain, putative 0.0266 0.3635 0.288
Loa Loa (eye worm) hypothetical protein 0.0266 0.3635 0.3635
Entamoeba histolytica tubulin alpha chain, putative 0.0266 0.3635 0.0214
Echinococcus granulosus tubulin alpha chain 0.0266 0.3635 0.3628
Trypanosoma brucei epsilon tubulin 0.0258 0.3496 0.2724
Trypanosoma cruzi alpha tubulin, putative 0.0266 0.3635 0.288
Schistosoma mansoni tubulin subunit alpha 0.0266 0.3635 0.3341
Echinococcus granulosus Tubulin alpha 1 chain 0.0266 0.3635 0.3628
Echinococcus multilocularis tubulin alpha 3 chain 0.0266 0.3635 0.3628
Brugia malayi Tubulin alpha-2 chain 0.0266 0.3635 0.3635
Schistosoma mansoni alpha tubulin 0.0266 0.3635 0.3341
Trichomonas vaginalis tubulin epsilon chain, putative 0.0266 0.3635 0.288
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Trichomonas vaginalis tubulin beta chain, putative 0.0266 0.3635 0.288
Leishmania major gamma-tubulin 0.0258 0.3496 0.2724
Brugia malayi Tubulin gamma chain 0.0258 0.3496 0.3496
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0258 0.3496 0.3195
Echinococcus granulosus tubulin alpha chain 0.0266 0.3635 0.3628
Trichomonas vaginalis tubulin alpha chain, putative 0.0258 0.3496 0.2724
Onchocerca volvulus 0.0146 0.1627 0.5
Echinococcus multilocularis tubulin alpha 1C chain 0.0266 0.3635 0.3628
Echinococcus multilocularis Tubulin alpha 1 chain 0.0266 0.3635 0.3628
Plasmodium vivax delta tubulin, putative 0.0112 0.1061 0.0647
Mycobacterium leprae cell division protein FtsZ 0.0112 0.1061 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0442 0.0442
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0075 0.0442 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0266 0.3635 0.288
Brugia malayi alpha-tubulin 0.0266 0.3635 0.3635
Echinococcus granulosus tubulin epsilon chain 0.0258 0.3496 0.3488
Schistosoma mansoni tubulin subunit alpha 0.0112 0.1061 0.0647
Schistosoma mansoni tubulin subunit beta 0.0112 0.1061 0.0647
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0075 0.0442 0.0431
Schistosoma mansoni tubulin subunit alpha 0.0266 0.3635 0.3341
Trypanosoma cruzi epsilon tubulin, putative 0.0258 0.3496 0.2724
Trichomonas vaginalis tubulin beta chain, putative 0.0266 0.3635 0.288
Brugia malayi Tubulin alpha chain 0.0266 0.3635 0.3635
Brugia malayi Cell division protein ftsZ 0.0112 0.1061 0.1061
Loa Loa (eye worm) tubulin alpha chain 0.0266 0.3635 0.3635
Brugia malayi Probable ClpP-like protease 0.0075 0.0442 0.0442
Loa Loa (eye worm) tubulin beta chain 0.0112 0.1061 0.1061
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Schistosoma mansoni tubulin subunit delta 0.0112 0.1061 0.0647
Trypanosoma brucei tubulin gamma chain 0.0258 0.3496 0.2724
Trichomonas vaginalis tubulin alpha chain, putative 0.0146 0.1627 0.0634
Echinococcus granulosus Tubulin alpha 1 chain 0.0266 0.3635 0.3628
Plasmodium falciparum alpha tubulin 2 0.0266 0.3635 0.3341
Trypanosoma brucei beta tubulin 0.0258 0.3496 0.2724
Trypanosoma brucei alpha tubulin 0.0266 0.3635 0.288
Echinococcus granulosus tubulin alpha chain 0.0266 0.3635 0.3628
Trypanosoma brucei epsilon tubulin 0.0258 0.3496 0.2724
Brugia malayi Tubulin beta chain 0.0146 0.1627 0.1627
Loa Loa (eye worm) hypothetical protein 0.012 0.12 0.12
Mycobacterium tuberculosis Cell division protein FtsZ 0.0112 0.1061 1
Echinococcus multilocularis tubulin epsilon chain 0.0258 0.3496 0.3488
Echinococcus granulosus tubulin alpha 3 chain 0.0266 0.3635 0.3628
Echinococcus multilocularis peroxisome assembly protein 26 0.0266 0.3635 0.3628
Loa Loa (eye worm) hypothetical protein 0.0154 0.1767 0.1767
Echinococcus multilocularis hypothetical protein 0.0266 0.3635 0.3628
Trichomonas vaginalis tubulin gamma chain, putative 0.0258 0.3496 0.2724
Echinococcus multilocularis tubulin alpha chain 0.0266 0.3635 0.3628
Plasmodium falciparum alpha tubulin 1 0.0266 0.3635 0.3341
Echinococcus multilocularis tubulin delta chain 0.0112 0.1061 0.1051
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0154 0.1767 0.1767
Echinococcus multilocularis tubulin alpha chain 0.0266 0.3635 0.3628
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Plasmodium falciparum tubulin delta chain, putative 0.0112 0.1061 0.0647
Echinococcus multilocularis Tubulin alpha 1 chain 0.0266 0.3635 0.3628
Echinococcus granulosus tubulin gamma 1 chain 0.0258 0.3496 0.3488
Trichomonas vaginalis tubulin beta chain, putative 0.0146 0.1627 0.0634
Leishmania major epsilon tubulin, putative 0.0258 0.3496 0.2724
Giardia lamblia Alpha-tubulin 0.0266 0.3635 0.288
Leishmania major alpha tubulin 0.0266 0.3635 0.288
Brugia malayi Tubulin alpha-2 chain 0.0266 0.3635 0.3635
Echinococcus multilocularis tubulin alpha 3 chain 0.0266 0.3635 0.3628
Loa Loa (eye worm) tubulin alpha 2 0.0154 0.1767 0.1767
Echinococcus multilocularis tubulin alpha chain 0.0266 0.3635 0.3628
Echinococcus granulosus peroxisome assembly protein 26 0.0266 0.3635 0.3628
Echinococcus multilocularis tubulin alpha 1C chain 0.0266 0.3635 0.3628
Loa Loa (eye worm) tubulin alpha-2 chain 0.0266 0.3635 0.3635
Trypanosoma brucei alpha tubulin 0.0266 0.3635 0.288
Mycobacterium ulcerans cell division protein FtsZ 0.0112 0.1061 1
Echinococcus granulosus tubulin delta chain 0.0112 0.1061 0.1051
Giardia lamblia Gamma tubulin 0.0258 0.3496 0.2724
Toxoplasma gondii alpha tubulin TUBA1 0.0266 0.3635 0.3341
Schistosoma mansoni tubulin subunit gamma 0.0258 0.3496 0.3195
Trypanosoma brucei alpha tubulin 0.0266 0.3635 0.288
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0112 0.1061 0.0647
Brugia malayi tubulin alpha chain - mouse 0.0266 0.3635 0.3635
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0075 0.0442 0.0431
Schistosoma mansoni tubulin subunit epsilon 0.0258 0.3496 0.3195
Trichomonas vaginalis tubulin beta chain, putative 0.0266 0.3635 0.288

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 50 ug ml-1 Antibacterial activity against Escherichia coli MTCC 443 after 24 hrs by serial broth dilution method ChEMBL. 23058887
MIC (functional) = 500 ug ml-1 Antifungal activity against Candida albicans MTCC 227 after 48 hrs by serial broth dilution method ChEMBL. 23058887

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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