TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.413 | Formula: C24H29Cl2N3O
H donors: 1 H acceptors: 1 LogP: 4.57 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)CN1CCC2(CC(C1C(C2)c1ccc(cc1)Cl)c1ccc(cc1)Cl)N(C)C
InChi: 1S/C24H29Cl2N3O/c1-28(2)24-11-12-29(15-22(27)30)23(20(13-24)16-3-7-18(25)8-4-16)21(14-24)17-5-9-19(26)10-6-17/h3-10,20-21,23H,11-15H2,1-2H3,(H2,27,30)
InChiKey: CVIGCSYDCXORNJ-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
Brugia malayi	alpha-tubulin	0.118903	0.728162	0.728162
Echinococcus granulosus	tubulin alpha chain	0.118903	0.728162	0.728162
Loa Loa (eye worm)	tubulin beta-1 chain	0.15992	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.15992	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0788339	0.462609	0.462609
Schistosoma mansoni	tubulin subunit beta	0.15992	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.090958	0.54296	0.54296
Onchocerca volvulus		0.0484671	0.261356	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.118903	0.728162	0.728162
Echinococcus granulosus	Tubulin alpha 1 chain	0.118903	0.728162	0.728162
Echinococcus granulosus	tubulin alpha chain	0.118903	0.728162	0.728162
Echinococcus multilocularis	tubulin alpha 1C chain	0.118903	0.728162	0.728162
Trypanosoma brucei	beta tubulin	0.15992	1	1
Loa Loa (eye worm)	tubulin beta chain	0.15992	1	1
Leishmania major	beta tubulin	0.15992	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0484671	0.261356	0.0816198
Echinococcus multilocularis	tubulin subunit beta	0.15992	1	1
Trypanosoma brucei	zeta tubulin, putative	0.0788339	0.462609	0.272463
Schistosoma mansoni	tubulin subunit gamma	0.0910225	0.543388	0.543388
Giardia lamblia	Alpha-tubulin	0.118903	0.728162	0.662015
Trypanosoma brucei	alpha tubulin	0.118903	0.728162	0.631977
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0627465	0.355991	0.355991
Loa Loa (eye worm)	alpha-tubulin	0.118903	0.728162	0.728162
Leishmania major	beta tubulin	0.15992	1	1
Schistosoma mansoni	alpha tubulin	0.118903	0.728162	0.728162
Trichomonas vaginalis	tubulin epsilon chain, putative	0.118903	0.728162	0.662015
Echinococcus multilocularis	Tubulin beta 2C chain	0.15992	1	1
Leishmania major	beta tubulin	0.15992	1	1
Echinococcus multilocularis	beta tubulin	0.15992	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.15992	1	1
Toxoplasma gondii	beta tubulin	0.15992	1	1
Entamoeba histolytica	tubulin family protein	0.15992	1	1
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0385619	0.19571	0.5
Loa Loa (eye worm)	hypothetical protein	0.080341	0.472597	0.472597
Trichomonas vaginalis	tubulin, putative	0.0425554	0.222177	0.0329072
Leishmania major	beta tubulin	0.15992	1	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0704358	0.406951	0.406951
Loa Loa (eye worm)	tubulin beta-4 chain	0.15992	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.080341	0.472597	0.472597
Leishmania major	beta tubulin	0.15992	1	1
Echinococcus multilocularis	tubulin delta chain	0.0385619	0.19571	0.19571
Echinococcus granulosus	tubulin alpha 3 chain	0.118903	0.728162	0.728162
Echinococcus granulosus	Tubulin beta 2C chain	0.15992	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.118903	0.728162	0.662015
Giardia lamblia	Gamma tubulin	0.0910225	0.543388	0.432279
Trypanosoma brucei	alpha tubulin	0.118903	0.728162	0.631977
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Loa Loa (eye worm)	beta-tubulin	0.15992	1	1
Leishmania major	beta tubulin	0.15992	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.15992	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.080341	0.472597	0.344263
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Echinococcus multilocularis	Tubulin beta 2C chain	0.15992	1	1
Leishmania major	beta tubulin	0.15992	1	1
Brugia malayi	Tubulin alpha chain	0.118903	0.728162	0.728162
Trypanosoma brucei	epsilon tubulin	0.087029	0.516921	0.345992
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0704358	0.406951	0.262643
Schistosoma mansoni	alpha tubulin	0.118903	0.728162	0.728162
Echinococcus granulosus	tubulin alpha 1C chain	0.118903	0.728162	0.728162
Brugia malayi	tubulin alpha chain - mouse	0.118903	0.728162	0.728162
Schistosoma mansoni	tubulin subunit alpha	0.118903	0.728162	0.728162
Trypanosoma brucei	epsilon tubulin	0.090958	0.54296	0.381245
Entamoeba histolytica	tubulin family protein	0.15992	1	1
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0385619	0.19571	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.15992	1	1
Brugia malayi	Tubulin beta chain	0.0385619	0.19571	0.19571
Loa Loa (eye worm)	tubulin alpha 2	0.0318739	0.151386	0.151386
Echinococcus multilocularis	Tubulin beta 2C chain	0.15992	1	1
Trypanosoma brucei	beta tubulin	0.087029	0.516921	0.345992
Echinococcus granulosus	alpha tubulin	0.118903	0.728162	0.728162
Giardia lamblia	Beta tubulin	0.15992	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.118903	0.728162	0.728162
Trichomonas vaginalis	tubulin alpha chain, putative	0.0484671	0.261356	0.0816198
Plasmodium vivax	tubulin epsilon chain, putative	0.090958	0.54296	0.431748
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.15992	1	1
Trypanosoma brucei	tubulin gamma chain	0.0910225	0.543388	0.381824
Plasmodium vivax	tubulin alpha chain, putative	0.118903	0.728162	0.662015
Trypanosoma brucei	alpha tubulin	0.118903	0.728162	0.631977
Echinococcus granulosus	tubulin beta 4A class IVa	0.15992	1	1
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Leishmania major	zeta tubulin, putative	0.0788339	0.462609	0.165553
Echinococcus multilocularis	tubulin alpha chain	0.118903	0.728162	0.728162
Trichomonas vaginalis	tubulin, putative	0.0484671	0.261356	0.0816198
Leishmania major	beta tubulin	0.15992	1	1
Trypanosoma cruzi	tubulin delta chain	0.0627465	0.355991	0.355991
Echinococcus granulosus	tubulin epsilon chain	0.090958	0.54296	0.54296
Echinococcus granulosus	Tubulin beta 2C chain	0.15992	1	1
Echinococcus granulosus	tubulin subunit TubB	0.118903	0.728162	0.728162
Echinococcus multilocularis	tubulin beta 1 chain	0.15992	1	1
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Echinococcus multilocularis	Tubulin alpha 1 chain	0.118903	0.728162	0.728162
Brugia malayi	Tubulin alpha chain	0.0385619	0.19571	0.19571
Trypanosoma brucei	zeta tubulin	0.0788339	0.462609	0.272463
Trypanosoma brucei	tubulin delta chain	0.0627465	0.355991	0.12812
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Brugia malayi	Cell division protein ftsZ	0.0385619	0.19571	0.19571
Echinococcus granulosus	tubulin gamma 1 chain	0.0910225	0.543388	0.543388
Mycobacterium leprae	cell division protein FtsZ	0.0385619	0.19571	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.15992	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0385619	0.19571	0.19571
Trypanosoma brucei	beta tubulin	0.15992	1	1
Schistosoma mansoni	tubulin subunit delta	0.0385619	0.19571	0.19571
Echinococcus multilocularis	tubulin alpha	0.087029	0.516921	0.516921
Giardia lamblia	Beta tubulin	0.15992	1	1
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Echinococcus granulosus	tubulin subunit beta	0.15992	1	1
Brugia malayi	Tubulin alpha-2 chain	0.118903	0.728162	0.728162
Loa Loa (eye worm)	tubulin alpha chain	0.118903	0.728162	0.728162
Echinococcus multilocularis	tubulin alpha chain	0.118903	0.728162	0.728162
Trichomonas vaginalis	tubulin beta chain, putative	0.118903	0.728162	0.662015
Trichomonas vaginalis	tubulin, putative	0.0484671	0.261356	0.0816198
Schistosoma mansoni	tubulin subunit alpha	0.0385619	0.19571	0.19571
Leishmania major	beta tubulin	0.15992	1	1
Plasmodium falciparum	alpha tubulin 1	0.118903	0.728162	0.662015
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0424909	0.221749	0.221749
Plasmodium falciparum	alpha tubulin 2	0.118903	0.728162	0.662015
Toxoplasma gondii	beta-tubulin, putative	0.15992	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.0910225	0.543388	0.543388
Trypanosoma cruzi	beta tubulin, putative	0.15992	1	1
Leishmania major	gamma-tubulin	0.0910225	0.543388	0.290985
Echinococcus granulosus	Tubulin beta 2C chain	0.15992	1	1
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Plasmodium falciparum	tubulin gamma chain	0.0910225	0.543388	0.432279
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0484671	0.261356	0.0816198
Loa Loa (eye worm)	BEN-1 protein	0.15992	1	1
Giardia lamblia	Beta tubulin	0.15992	1	1
Echinococcus granulosus	tubulin alpha chain	0.118903	0.728162	0.728162
Loa Loa (eye worm)	tubulin alpha chain	0.118903	0.728162	0.728162
Echinococcus multilocularis	tubulin alpha 1C chain	0.118903	0.728162	0.728162
Trichomonas vaginalis	tubulin alpha chain, putative	0.0484671	0.261356	0.0816198
Schistosoma mansoni	tubulin subunit beta	0.15992	1	1
Plasmodium vivax	tubulin beta chain, putative	0.15992	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.118903	0.728162	0.728162
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Echinococcus granulosus	Tubulin beta 2C chain	0.15992	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.118903	0.728162	0.662015
Echinococcus granulosus	tubulin beta 1 chain	0.15992	1	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.090958	0.54296	0.431748
Schistosoma mansoni	tubulin subunit beta	0.0385619	0.19571	0.19571
Trichomonas vaginalis	tubulin beta chain, putative	0.118903	0.728162	0.662015
Brugia malayi	Tubulin alpha-2 chain	0.118903	0.728162	0.728162
Schistosoma mansoni	tubulin subunit beta	0.15992	1	1
Schistosoma mansoni	tubulin subunit beta	0.15992	1	1
Brugia malayi	Tubulin gamma chain	0.0910225	0.543388	0.543388
Brugia malayi	Tubulin beta chain	0.0484671	0.261356	0.261356
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.087029	0.516921	0.516921
Giardia lamblia	Epsilon tubulin	0.0424909	0.221749	0.0323755
Toxoplasma gondii	alpha tubulin TUBA1	0.118903	0.728162	0.728162
Schistosoma mansoni	alpha tubulin	0.118903	0.728162	0.728162
Toxoplasma gondii	alpha-tubulin I, putative	0.118903	0.728162	0.728162
Trypanosoma cruzi	epsilon tubulin, putative	0.090958	0.54296	0.54296
Trichomonas vaginalis	tubulin gamma chain, putative	0.090958	0.54296	0.431748
Brugia malayi	tubulin alpha-2 chain	0.118903	0.728162	0.728162
Leishmania major	beta tubulin	0.15992	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.15992	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.118903	0.728162	0.662015
Trypanosoma brucei	beta tubulin	0.15992	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.118903	0.728162	0.728162
Echinococcus multilocularis	beta tubulin	0.15992	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.118903	0.728162	0.728162
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Loa Loa (eye worm)	hypothetical protein	0.0704358	0.406951	0.406951
Trichomonas vaginalis	tubulin alpha chain, putative	0.087029	0.516921	0.399372
Leishmania major	epsilon tubulin, putative	0.090958	0.54296	0.290321
Giardia lamblia	Alpha-tubulin	0.118903	0.728162	0.662015
Loa Loa (eye worm)	tubulin alpha-2 chain	0.118903	0.728162	0.728162
Schistosoma mansoni	tubulin subunit alpha	0.118903	0.728162	0.728162
Loa Loa (eye worm)	BEN-1 protein	0.15992	1	1
Leishmania major	beta tubulin	0.15992	1	1
Trypanosoma cruzi	tubulin delta chain	0.0627465	0.355991	0.355991
Echinococcus multilocularis	tubulin alpha 3 chain	0.118903	0.728162	0.728162
Echinococcus multilocularis	tubulin alpha chain	0.118903	0.728162	0.728162
Leishmania major	beta tubulin	0.15992	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.080341	0.472597	0.472597
Trichomonas vaginalis	tubulin beta chain, putative	0.118903	0.728162	0.662015
Trichomonas vaginalis	tubulin alpha chain, putative	0.15992	1	1
Trichomonas vaginalis	tubulin, putative	0.15992	1	1
Plasmodium vivax	tubulin gamma chain, putative	0.0910225	0.543388	0.432279
Entamoeba histolytica	tubulin alpha-1 chain	0.118903	0.728162	0.404664
Trypanosoma cruzi	zeta tubulin, putative	0.0788339	0.462609	0.462609
Echinococcus multilocularis	tubulin epsilon chain	0.090958	0.54296	0.54296
Trypanosoma brucei	epsilon tubulin	0.090958	0.54296	0.381245
Echinococcus granulosus	tubulin delta chain	0.0385619	0.19571	0.19571
Brugia malayi	Tubulin beta-1 chain	0.15992	1	1
Toxoplasma gondii	beta-1 tubulin, putative	0.15992	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0910225	0.543388	0.432279
Schistosoma mansoni	tubulin subunit epsilon	0.090958	0.54296	0.54296
Leishmania major	beta tubulin	0.15992	1	1
Leishmania major	beta tubulin	0.15992	1	1
Entamoeba histolytica	tubulin alpha chain, putative	0.118903	0.728162	0.404664
Echinococcus multilocularis	hypothetical protein	0.118903	0.728162	0.728162
Echinococcus granulosus	tubulin alpha chain	0.118903	0.728162	0.728162
Trichomonas vaginalis	tubulin beta chain, putative	0.118903	0.728162	0.662015
Echinococcus multilocularis	tubulin alpha chain	0.118903	0.728162	0.728162
Echinococcus granulosus	beta tubulin	0.15992	1	1
Trypanosoma cruzi	tubulin gamma chain	0.0910225	0.543388	0.543388
Plasmodium vivax	tubulin alpha chain, putative	0.118903	0.728162	0.662015
Leishmania major	beta tubulin	0.15992	1	1
Leishmania major	beta tubulin	0.15992	1	1
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Loa Loa (eye worm)	hypothetical protein	0.118903	0.728162	0.728162
Leishmania major	beta tubulin	0.15992	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.118903	0.728162	0.728162
Trypanosoma brucei	beta tubulin	0.15992	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.118903	0.728162	0.728162
Echinococcus granulosus	tubulin alpha chain	0.118903	0.728162	0.728162
Trypanosoma brucei	alpha tubulin	0.118903	0.728162	0.631977
Treponema pallidum	cell division protein FtsZ	0.0385619	0.19571	0.5
Echinococcus multilocularis	Tubulin alpha 1 chain	0.118903	0.728162	0.728162
Echinococcus multilocularis	tubulin gamma 1 chain	0.0910225	0.543388	0.543388
Schistosoma mansoni	tubulin subunit beta	0.15992	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.15992	1	1
Plasmodium falciparum	tubulin beta chain	0.15992	1	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.118903	0.728162	0.728162
Loa Loa (eye worm)	tubulin alpha 2	0.080341	0.472597	0.472597
Loa Loa (eye worm)	alpha-tubulin	0.118903	0.728162	0.728162
Echinococcus multilocularis	Tubulin alpha 1 chain	0.118903	0.728162	0.728162
Schistosoma mansoni	tubulin subunit alpha	0.118903	0.728162	0.728162
Leishmania major	alpha tubulin	0.118903	0.728162	0.577897
Schistosoma mansoni	tubulin subunit beta	0.15992	1	1
Echinococcus granulosus	beta tubulin	0.15992	1	1
Mycobacterium ulcerans	cell division protein FtsZ	0.0385619	0.19571	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.118903	0.728162	0.662015
Echinococcus granulosus	tubulin alpha 1C chain	0.118903	0.728162	0.728162
Brugia malayi	beta-tubulin, identical	0.15992	1	1
Leishmania major	beta tubulin	0.15992	1	1
Echinococcus granulosus	tubulin alpha	0.087029	0.516921	0.516921
Loa Loa (eye worm)	tubulin beta-2A chain	0.15992	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0484671	0.261356	0.0816198
Echinococcus multilocularis	tubulin alpha chain	0.118903	0.728162	0.728162

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.91 uM	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 after 72 hrs by microplate alamar blue assay	ChEMBL.	18502136
IC50 (functional)	= 1.11 uM	Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 after 48 hrs	ChEMBL.	18502136

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei gambiense		18502136
Plasmodium falciparum	ChEMBL23	18502136

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: CHEMBL486080

Bibliographic References

No literature references available for this target.

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Detailed information for compound 990411