TDR Targets

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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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0154	0.1767	0.079
Trypanosoma brucei	tubulin gamma chain	0.0258	0.3496	0.2724
Schistosoma mansoni	tubulin subunit alpha	0.0266	0.3635	0.3341
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0112	0.1061	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0146	0.1627	0.0634
Trypanosoma brucei	beta tubulin	0.0258	0.3496	0.2724
Echinococcus multilocularis	tubulin alpha 1C chain	0.0266	0.3635	0.3628
Trichomonas vaginalis	tubulin, putative	0.0146	0.1627	0.0634
Echinococcus granulosus	tubulin alpha chain	0.0266	0.3635	0.3628
Entamoeba histolytica	tubulin alpha chain, putative	0.0266	0.3635	0.0214
Echinococcus granulosus	tubulin alpha 3 chain	0.0266	0.3635	0.3628
Trichomonas vaginalis	tubulin alpha chain, putative	0.0258	0.3496	0.2724
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0266	0.3635	0.3628
Trichomonas vaginalis	tubulin gamma chain, putative	0.0258	0.3496	0.2724
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Loa Loa (eye worm)	hypothetical protein	0.012	0.12	0.12
Treponema pallidum	cell division protein FtsZ	0.0112	0.1061	1
Brugia malayi	Tubulin alpha chain	0.0266	0.3635	0.3635
Brugia malayi	Tubulin beta chain	0.0146	0.1627	0.1627
Schistosoma mansoni	alpha tubulin	0.0266	0.3635	0.3341
Trypanosoma cruzi	epsilon tubulin, putative	0.0258	0.3496	0.2724
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Mycobacterium leprae	cell division protein FtsZ	0.0112	0.1061	1
Plasmodium vivax	tubulin gamma chain, putative	0.0258	0.3496	0.3195
Trichomonas vaginalis	tubulin beta chain, putative	0.0266	0.3635	0.288
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0266	0.3635	0.3628
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0075	0.0442	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0266	0.3635	0.3628
Trichomonas vaginalis	tubulin beta chain, putative	0.0266	0.3635	0.288
Plasmodium falciparum	tubulin gamma chain	0.0258	0.3496	0.3195
Echinococcus multilocularis	tubulin alpha	0.0258	0.3496	0.3488
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 chain	0.0266	0.3635	0.3628
Plasmodium falciparum	tubulin epsilon chain, putative	0.0258	0.3496	0.3195
Mycobacterium ulcerans	cell division protein FtsZ	0.0112	0.1061	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0112	0.1061	0.0647
Echinococcus granulosus	tubulin gamma 1 chain	0.0258	0.3496	0.3488
Schistosoma mansoni	tubulin subunit beta	0.0112	0.1061	0.0647
Echinococcus granulosus	tubulin subunit TubB	0.0266	0.3635	0.3628
Trypanosoma brucei	epsilon tubulin	0.0258	0.3496	0.2724
Schistosoma mansoni	alpha tubulin	0.0266	0.3635	0.3341
Brugia malayi	Tubulin alpha-2 chain	0.0266	0.3635	0.3635
Brugia malayi	Tubulin alpha-2 chain	0.0266	0.3635	0.3635
Plasmodium vivax	delta tubulin, putative	0.0112	0.1061	0.0647
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0075	0.0442	0.0431
Plasmodium vivax	tubulin alpha chain, putative	0.0266	0.3635	0.3341
Trypanosoma cruzi	tubulin gamma chain	0.0258	0.3496	0.2724
Trypanosoma brucei	alpha tubulin	0.0266	0.3635	0.288
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1767	0.1767
Echinococcus multilocularis	tubulin alpha 3 chain	0.0266	0.3635	0.3628
Plasmodium vivax	tubulin epsilon chain, putative	0.0258	0.3496	0.3195
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Leishmania major	gamma-tubulin	0.0258	0.3496	0.2724
Trichomonas vaginalis	tubulin beta chain, putative	0.0266	0.3635	0.288
Brugia malayi	tubulin alpha-2 chain	0.0266	0.3635	0.3635
Trypanosoma brucei	alpha tubulin, putative	0.0146	0.1627	0.0634
Giardia lamblia	Alpha-tubulin	0.0266	0.3635	0.288
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Schistosoma mansoni	tubulin subunit alpha	0.0266	0.3635	0.3341
Echinococcus granulosus	tubulin alpha chain	0.0266	0.3635	0.3628
Loa Loa (eye worm)	tubulin alpha 2	0.0154	0.1767	0.1767
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0266	0.3635	0.3635
Trypanosoma brucei	alpha tubulin	0.0266	0.3635	0.288
Echinococcus granulosus	Tubulin alpha 1 chain	0.0266	0.3635	0.3628
Loa Loa (eye worm)	tubulin alpha 2	0.0154	0.1767	0.1767
Onchocerca volvulus		0.0146	0.1627	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0266	0.3635	0.288
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0075	0.0442	0.0431
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Echinococcus multilocularis	peroxisome assembly protein 26	0.0266	0.3635	0.3628
Plasmodium falciparum	alpha tubulin 2	0.0266	0.3635	0.3341
Echinococcus multilocularis	tubulin delta chain	0.0112	0.1061	0.1051
Echinococcus multilocularis	tubulin alpha chain	0.0266	0.3635	0.3628
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0075	0.0442	0.5
Loa Loa (eye worm)	tubulin gamma chain	0.0258	0.3496	0.3496
Echinococcus granulosus	peroxisome assembly protein 26	0.0266	0.3635	0.3628
Brugia malayi	Tubulin beta chain	0.0112	0.1061	0.1061
Trypanosoma brucei	epsilon tubulin	0.0258	0.3496	0.2724
Loa Loa (eye worm)	tubulin beta chain	0.0112	0.1061	0.1061
Echinococcus multilocularis	tubulin gamma 1 chain	0.0258	0.3496	0.3488
Loa Loa (eye worm)	tubulin alpha chain	0.0266	0.3635	0.3635
Schistosoma mansoni	tubulin subunit epsilon	0.0258	0.3496	0.3195
Schistosoma mansoni	tubulin subunit alpha	0.0112	0.1061	0.0647
Schistosoma mansoni	tubulin subunit gamma	0.0258	0.3496	0.3195
Trichomonas vaginalis	tubulin beta chain, putative	0.0266	0.3635	0.288
Trichomonas vaginalis	tubulin alpha chain, putative	0.0146	0.1627	0.0634
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0266	0.3635	0.3628
Leishmania major	epsilon tubulin, putative	0.0258	0.3496	0.2724
Brugia malayi	Tubulin gamma chain	0.0258	0.3496	0.3496
Schistosoma mansoni	tubulin subunit alpha	0.0266	0.3635	0.3341
Plasmodium falciparum	tubulin delta chain, putative	0.0112	0.1061	0.0647
Toxoplasma gondii	alpha-tubulin I, putative	0.0266	0.3635	0.3341
Plasmodium falciparum	alpha tubulin 1	0.0266	0.3635	0.3341
Loa Loa (eye worm)	hypothetical protein	0.0266	0.3635	0.3635
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0154	0.1767	0.1767
Schistosoma mansoni	alpha tubulin	0.0266	0.3635	0.3341
Brugia malayi	Tubulin alpha chain	0.0112	0.1061	0.1061
Echinococcus multilocularis	tubulin alpha chain	0.0266	0.3635	0.3628
Echinococcus multilocularis	tubulin alpha 3 chain	0.0266	0.3635	0.3628
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0266	0.3635	0.288
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Trichomonas vaginalis	tubulin alpha chain, putative	0.0146	0.1627	0.0634
Echinococcus multilocularis	tubulin alpha chain	0.0266	0.3635	0.3628
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.012	0.12	0.0156
Echinococcus granulosus	tubulin alpha chain	0.0266	0.3635	0.3628
Echinococcus multilocularis	tubulin epsilon chain	0.0258	0.3496	0.3488
Loa Loa (eye worm)	alpha-tubulin	0.0266	0.3635	0.3635
Echinococcus granulosus	tubulin alpha 3 chain	0.0266	0.3635	0.3628
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0258	0.3496	0.3195
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Echinococcus granulosus	Tubulin alpha 1 chain	0.0266	0.3635	0.3628
Plasmodium vivax	tubulin alpha chain, putative	0.0266	0.3635	0.3341
Toxoplasma gondii	alpha tubulin TUBA1	0.0266	0.3635	0.3341
Entamoeba histolytica	tubulin alpha-1 chain	0.0266	0.3635	0.0214
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0075	0.0442	0.4103
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0442	0.0442
Echinococcus multilocularis	tubulin alpha chain	0.0266	0.3635	0.3628
Brugia malayi	alpha-tubulin	0.0266	0.3635	0.3635
Echinococcus multilocularis	hypothetical protein	0.0266	0.3635	0.3628
Trypanosoma brucei	alpha tubulin	0.0266	0.3635	0.288
Trichomonas vaginalis	tubulin alpha chain, putative	0.0146	0.1627	0.0634
Echinococcus granulosus	tubulin alpha chain	0.0266	0.3635	0.3628
Loa Loa (eye worm)	tubulin alpha-3 chain	0.012	0.12	0.12
Giardia lamblia	Gamma tubulin	0.0258	0.3496	0.2724
Giardia lamblia	Alpha-tubulin	0.0266	0.3635	0.288
Echinococcus granulosus	tubulin delta chain	0.0112	0.1061	0.1051
Echinococcus multilocularis	tubulin alpha chain	0.0266	0.3635	0.3628
Brugia malayi	Cell division protein ftsZ	0.0112	0.1061	0.1061
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Brugia malayi	tubulin alpha chain - mouse	0.0266	0.3635	0.3635
Echinococcus multilocularis	tubulin alpha 1C chain	0.0266	0.3635	0.3628
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Trichomonas vaginalis	tubulin beta chain, putative	0.0266	0.3635	0.288
Trypanosoma brucei	alpha tubulin	0.0266	0.3635	0.288
Trichomonas vaginalis	tubulin, putative	0.0146	0.1627	0.0634
Trichomonas vaginalis	tubulin beta chain, putative	0.0266	0.3635	0.288
Echinococcus multilocularis	tubulin subunit TubB	0.0266	0.3635	0.3628
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0112	0.1061	0.0647
Trypanosoma brucei	epsilon tubulin	0.0258	0.3496	0.2724
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Trypanosoma cruzi	alpha tubulin, putative	0.0266	0.3635	0.288
Brugia malayi	Probable ClpP-like protease	0.0075	0.0442	0.0442
Echinococcus granulosus	tubulin epsilon chain	0.0258	0.3496	0.3488
Trichomonas vaginalis	tubulin beta chain, putative	0.0146	0.1627	0.0634
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0266	0.3635	0.288
Echinococcus granulosus	tubulin alpha	0.0258	0.3496	0.3488
Echinococcus granulosus	alpha tubulin	0.0266	0.3635	0.3628
Trichomonas vaginalis	tubulin gamma chain, putative	0.0258	0.3496	0.2724
Loa Loa (eye worm)	alpha-tubulin	0.0266	0.3635	0.3635
Leishmania major	alpha tubulin	0.0266	0.3635	0.288
Loa Loa (eye worm)	tubulin alpha chain	0.0266	0.3635	0.3635
Trypanosoma cruzi	epsilon tubulin, putative	0.0258	0.3496	0.2724
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0112	0.1061	1
Schistosoma mansoni	tubulin subunit delta	0.0112	0.1061	0.0647
Echinococcus granulosus	tubulin alpha 1C chain	0.0266	0.3635	0.3628

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

ChEMBL: CHEMBL2159901

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1722930