TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 351.402 | Formula: C19H21N5O2
H donors: 2 H acceptors: 3 LogP: 3.43 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1nnc(o1)c1ccccc1)N/N=C/1\C[C@@H](CC=C1C)C(=C)C
InChi: 1S/C19H21N5O2/c1-12(2)15-10-9-13(3)16(11-15)21-23-18(25)20-19-24-22-17(26-19)14-7-5-4-6-8-14/h4-9,15H,1,10-11H2,2-3H3,(H2,20,23,24,25)/b21-16+/t15-/m1/s1
InChiKey: LVRHPKUZPFIMKT-JJTVEENBSA-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
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Echinococcus granulosus	alpha tubulin	0.0208	0.1986	0.1925
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Echinococcus granulosus	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Echinococcus granulosus	tubulin alpha 1C chain	0.0208	0.1986	0.1925
Loa Loa (eye worm)	tubulin beta-2A chain	0.0275	0.2879	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0208	0.1986	0.1925
Trypanosoma brucei	alpha tubulin	0.0208	0.1986	0.6814
Trypanosoma brucei	beta tubulin	0.0275	0.2879	1
Mycobacterium leprae	cell division protein FtsZ	0.0065	0.0076	0.5
Loa Loa (eye worm)	tubulin alpha chain	0.0208	0.1986	0.6898
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0084	0.0337	0.0932
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Schistosoma mansoni	tubulin subunit beta	0.0275	0.2879	0.2825
Trichomonas vaginalis	tubulin gamma chain, putative	0.0275	0.2879	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0208	0.1986	0.1925
Echinococcus granulosus	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.108	0.375
Echinococcus multilocularis	tubulin alpha 1C chain	0.0208	0.1986	0.1925
Echinococcus multilocularis	beta tubulin	0.0275	0.2879	0.2825
Echinococcus multilocularis	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Entamoeba histolytica	tubulin family protein	0.0275	0.2879	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0149	0.12	0.4008
Brugia malayi	Tubulin beta-1 chain	0.0275	0.2879	1
Echinococcus multilocularis	tubulin alpha chain	0.0208	0.1986	0.1925
Leishmania major	beta tubulin	0.0275	0.2879	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0149	0.12	0.4008
Leishmania major	beta tubulin	0.0275	0.2879	1
Plasmodium falciparum	tubulin gamma chain	0.0149	0.12	0.4008
Echinococcus multilocularis	tubulin alpha chain	0.0208	0.1986	0.1925
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0275	0.2879	0.2825
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0208	0.1986	0.6814
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0208	0.1986	0.1925
Trypanosoma brucei	epsilon tubulin	0.0149	0.12	0.4008
Schistosoma mansoni	tubulin subunit epsilon	0.0149	0.12	0.1132
Leishmania major	beta tubulin	0.0275	0.2879	1
Echinococcus multilocularis	tubulin epsilon chain	0.0149	0.12	0.1132
Schistosoma mansoni	tubulin subunit gamma	0.0149	0.12	0.1132
Schistosoma mansoni	tubulin subunit beta	0.0275	0.2879	0.2825
Trichomonas vaginalis	tubulin gamma chain, putative	0.0149	0.12	0.4008
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0862	0.2995
Leishmania major	beta tubulin	0.0275	0.2879	1
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0065	0.0076	0.5
Leishmania major	beta tubulin	0.0275	0.2879	1
Schistosoma mansoni	alpha tubulin	0.0208	0.1986	0.1925
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1124	0.3903
Giardia lamblia	Beta tubulin	0.0275	0.2879	1
Leishmania major	beta tubulin	0.0275	0.2879	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0208	0.1986	0.1925
Trypanosoma brucei	epsilon tubulin	0.0149	0.12	0.4008
Schistosoma mansoni	tubulin subunit alpha	0.0208	0.1986	0.1925
Leishmania major	beta tubulin	0.0275	0.2879	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0275	0.2879	1
Echinococcus granulosus	tubulin subunit beta	0.0275	0.2879	0.2825
Loa Loa (eye worm)	tubulin beta-4 chain	0.0275	0.2879	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0144	0.1124	0.3903
Echinococcus granulosus	tubulin alpha 3 chain	0.0208	0.1986	0.1925
Echinococcus granulosus	peroxisome assembly protein 26	0.0208	0.1986	0.1925
Echinococcus multilocularis	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Loa Loa (eye worm)	transcription factor SMAD2	0.014	0.108	0.375
Toxoplasma gondii	beta tubulin	0.0275	0.2879	1
Plasmodium vivax	tubulin alpha chain, putative	0.0208	0.1986	0.6814
Echinococcus multilocularis	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Loa Loa (eye worm)	tubulin alpha 2	0.0144	0.1124	0.3903
Loa Loa (eye worm)	tubulin alpha 2	0.0144	0.1124	0.3903
Schistosoma mansoni	alpha tubulin	0.0208	0.1986	0.1925
Echinococcus multilocularis	tubulin gamma 1 chain	0.0149	0.12	0.1132
Leishmania major	epsilon tubulin, putative	0.0149	0.12	0.4008
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Trichomonas vaginalis	tubulin beta chain, putative	0.0208	0.1986	0.6814
Giardia lamblia	Alpha-tubulin	0.0208	0.1986	0.6814
Loa Loa (eye worm)	tubulin beta chain	0.0065	0.0076	0.0263
Echinococcus multilocularis	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0144	0.1124	0.3738
Echinococcus granulosus	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Plasmodium vivax	tubulin gamma chain, putative	0.0149	0.12	0.4008
Echinococcus granulosus	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Plasmodium vivax	tubulin alpha chain, putative	0.0208	0.1986	0.6814
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0208	0.1986	0.1925
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Entamoeba histolytica	tubulin family protein	0.0275	0.2879	1
Trypanosoma cruzi	beta tubulin, putative	0.0275	0.2879	1
Echinococcus granulosus	tumor protein p63	0.0397	0.4495	0.4453
Echinococcus multilocularis	tubulin alpha chain	0.0208	0.1986	0.1925
Onchocerca volvulus		0.0084	0.0337	0.5
Trypanosoma brucei	alpha tubulin	0.0208	0.1986	0.6814
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Schistosoma mansoni	tubulin subunit alpha	0.0208	0.1986	0.1925
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Echinococcus multilocularis	tubulin alpha chain	0.0208	0.1986	0.1925
Trichomonas vaginalis	tubulin alpha chain, putative	0.0149	0.12	0.4008
Plasmodium falciparum	alpha tubulin 2	0.0208	0.1986	0.6814
Echinococcus granulosus	tubulin beta 1 chain	0.0275	0.2879	0.2825
Echinococcus granulosus	tubulin epsilon chain	0.0149	0.12	0.1132
Schistosoma mansoni	tubulin subunit beta	0.0275	0.2879	0.2825
Trypanosoma cruzi	alpha tubulin, putative	0.0208	0.1986	0.6814
Echinococcus granulosus	tubulin beta 4A class IVa	0.0275	0.2879	0.2825
Echinococcus granulosus	tubulin gamma 1 chain	0.0149	0.12	0.1132
Plasmodium vivax	tubulin epsilon chain, putative	0.0149	0.12	0.4008
Entamoeba histolytica	tubulin alpha chain, putative	0.0208	0.1986	0.4682
Echinococcus granulosus	tubulin alpha chain	0.0208	0.1986	0.1925
Echinococcus multilocularis	tubulin beta 1 chain	0.0275	0.2879	0.2825
Leishmania major	beta tubulin	0.0275	0.2879	1
Trypanosoma brucei	beta tubulin	0.0275	0.2879	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0275	0.2879	1
Trichomonas vaginalis	tubulin, putative	0.0084	0.0337	0.0932
Brugia malayi	alpha-tubulin	0.0208	0.1986	0.6814
Brugia malayi	tubulin alpha chain - mouse	0.0208	0.1986	0.6814
Schistosoma mansoni	tubulin subunit alpha	0.0208	0.1986	0.1925
Echinococcus granulosus	tubulin alpha 3 chain	0.0208	0.1986	0.1925
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0208	0.1986	0.1925
Trypanosoma cruzi	tubulin gamma chain	0.0149	0.12	0.4008
Brugia malayi	MH2 domain containing protein	0.014	0.108	0.3581
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Trichomonas vaginalis	tubulin alpha chain, putative	0.0084	0.0337	0.0932
Leishmania major	beta tubulin	0.0275	0.2879	1
Brugia malayi	tubulin alpha-2 chain	0.0208	0.1986	0.6814
Mycobacterium ulcerans	cell division protein FtsZ	0.0065	0.0076	0.5
Leishmania major	beta tubulin	0.0275	0.2879	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0208	0.1986	0.6814
Toxoplasma gondii	beta-tubulin, putative	0.0275	0.2879	1
Echinococcus granulosus	beta tubulin	0.0275	0.2879	0.2825
Loa Loa (eye worm)	tubulin gamma chain	0.0149	0.12	0.4166
Toxoplasma gondii	beta-1 tubulin, putative	0.0275	0.2879	1
Leishmania major	beta tubulin	0.0275	0.2879	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0149	0.12	0.4008
Trichomonas vaginalis	tubulin alpha chain, putative	0.0084	0.0337	0.0932
Plasmodium falciparum	tubulin beta chain	0.0275	0.2879	1
Trypanosoma brucei	beta tubulin	0.0275	0.2879	1
Plasmodium vivax	tubulin beta chain, putative	0.0275	0.2879	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0208	0.1986	0.6814
Brugia malayi	Tubulin alpha-2 chain	0.0208	0.1986	0.6814
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0124	0.0862	0.2805
Echinococcus multilocularis	tubulin subunit beta	0.0275	0.2879	0.2825
Trichomonas vaginalis	tubulin beta chain, putative	0.0208	0.1986	0.6814
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Trichomonas vaginalis	tubulin beta chain, putative	0.0208	0.1986	0.6814
Loa Loa (eye worm)	BEN-1 protein	0.0275	0.2879	1
Trypanosoma brucei	beta tubulin	0.0149	0.12	0.4008
Echinococcus multilocularis	hypothetical protein	0.0208	0.1986	0.1925
Loa Loa (eye worm)	tubulin alpha chain	0.0208	0.1986	0.6898
Leishmania major	beta tubulin	0.0275	0.2879	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0084	0.0337	0.0932
Trichomonas vaginalis	tubulin beta chain, putative	0.0084	0.0337	0.0932
Loa Loa (eye worm)	tubulin beta chain	0.0275	0.2879	1
Echinococcus multilocularis	tumor protein p63	0.0397	0.4495	0.4453
Giardia lamblia	Beta tubulin	0.0275	0.2879	1
Loa Loa (eye worm)	beta-tubulin	0.0275	0.2879	1
Loa Loa (eye worm)	BEN-1 protein	0.0275	0.2879	1
Echinococcus granulosus	tubulin alpha chain	0.0208	0.1986	0.1925
Loa Loa (eye worm)	hypothetical protein	0.0208	0.1986	0.6898
Brugia malayi	Tubulin gamma chain	0.0149	0.12	0.4008
Loa Loa (eye worm)	tubulin beta-1 chain	0.0275	0.2879	1
Trichomonas vaginalis	tubulin, putative	0.0084	0.0337	0.0932
Schistosoma mansoni	alpha tubulin	0.0208	0.1986	0.1925
Trichomonas vaginalis	tubulin, putative	0.0275	0.2879	1
Giardia lamblia	Alpha-tubulin	0.0208	0.1986	0.6814
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0149	0.12	0.4008
Echinococcus granulosus	tubulin subunit TubB	0.0208	0.1986	0.1925
Trypanosoma brucei	alpha tubulin, putative	0.0084	0.0337	0.0932
Trypanosoma brucei	tubulin gamma chain	0.0149	0.12	0.4008
Leishmania major	beta tubulin	0.0275	0.2879	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0208	0.1986	0.1925
Leishmania major	beta tubulin	0.0275	0.2879	1
Giardia lamblia	Gamma tubulin	0.0149	0.12	0.4008
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0208	0.1986	0.6898
Echinococcus multilocularis	beta tubulin	0.0275	0.2879	0.2825
Echinococcus multilocularis	tubulin alpha	0.0149	0.12	0.1132
Leishmania major	alpha tubulin	0.0208	0.1986	0.6814
Entamoeba histolytica	tubulin alpha-1 chain	0.0208	0.1986	0.4682
Echinococcus multilocularis	tubulin subunit TubB	0.0208	0.1986	0.1925
Echinococcus granulosus	tubulin alpha chain	0.0208	0.1986	0.1925
Echinococcus multilocularis	tubulin alpha chain	0.0208	0.1986	0.1925
Echinococcus granulosus	tubulin alpha chain	0.0208	0.1986	0.1925
Treponema pallidum	cell division protein FtsZ	0.0065	0.0076	0.5
Plasmodium falciparum	alpha tubulin 1	0.0208	0.1986	0.6814
Echinococcus granulosus	tubulin alpha	0.0149	0.12	0.1132
Leishmania major	gamma-tubulin	0.0149	0.12	0.4008
Leishmania major	beta tubulin	0.0275	0.2879	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0275	0.2879	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0124	0.0862	0.2995
Echinococcus multilocularis	tubulin alpha 1C chain	0.0208	0.1986	0.1925
Trichomonas vaginalis	tubulin beta chain, putative	0.0208	0.1986	0.6814
Brugia malayi	Tubulin alpha-2 chain	0.0208	0.1986	0.6814
Schistosoma mansoni	tubulin subunit beta	0.0275	0.2879	0.2825
Loa Loa (eye worm)	alpha-tubulin	0.0208	0.1986	0.6898
Echinococcus granulosus	Tubulin alpha 1 chain	0.0208	0.1986	0.1925
Echinococcus multilocularis	tubulin alpha 3 chain	0.0208	0.1986	0.1925
Schistosoma mansoni	tubulin subunit beta	0.0275	0.2879	0.2825
Trypanosoma brucei	alpha tubulin	0.0208	0.1986	0.6814
Trichomonas vaginalis	tubulin beta chain, putative	0.0208	0.1986	0.6814
Trypanosoma brucei	beta tubulin	0.0275	0.2879	1
Brugia malayi	beta-tubulin, identical	0.0275	0.2879	1
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0065	0.0076	0.5
Giardia lamblia	Beta tubulin	0.0275	0.2879	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0275	0.2879	1
Schistosoma mansoni	tubulin subunit beta	0.0275	0.2879	0.2825
Trichomonas vaginalis	tubulin beta chain, putative	0.0208	0.1986	0.6814
Leishmania major	beta tubulin	0.0275	0.2879	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Leishmania major	beta tubulin	0.0275	0.2879	1
Loa Loa (eye worm)	alpha-tubulin	0.0208	0.1986	0.6898
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0208	0.1986	0.6814
Trypanosoma brucei	epsilon tubulin	0.0149	0.12	0.4008
Echinococcus granulosus	tubulin alpha chain	0.0208	0.1986	0.1925
Trichomonas vaginalis	tubulin gamma chain, putative	0.0149	0.12	0.4008
Leishmania major	beta tubulin	0.0275	0.2879	1
Brugia malayi	Tubulin beta chain	0.0084	0.0337	0.0932
Echinococcus granulosus	beta tubulin	0.0275	0.2879	0.2825
Brugia malayi	Tubulin alpha chain	0.0208	0.1986	0.6814
Trypanosoma brucei	alpha tubulin	0.0208	0.1986	0.6814
Echinococcus multilocularis	peroxisome assembly protein 26	0.0208	0.1986	0.1925
Echinococcus multilocularis	Tubulin beta 2C chain	0.0275	0.2879	0.2825
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0208	0.1986	0.6814

Activities

Activity type	Activity value	Assay description	Source	Reference
MTC (ADMET)	= 300 mg kg-1	Neurotoxicity against ip dosed Swiss albino mouse after 4 hrs by rotarod test	ChEMBL.	23265873

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: CHEMBL2322115

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 1726640