TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 313.354 | Formula: C16H19N5O2
H donors: 2 H acceptors: 4 LogP: 0.24 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C([C@H](NC(=O)c1c[nH]c2c1nc(cn2)C1CC1)C)N1CCC1
InChi: 1S/C16H19N5O2/c1-9(16(23)21-5-2-6-21)19-15(22)11-7-17-14-13(11)20-12(8-18-14)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18)(H,19,22)/t9-/m1/s1
InChiKey: QDCKKDJBUXQBNC-SECBINFHSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	Janus kinase 2	Starlite/ChEMBL	References
Homo sapiens	Janus kinase 3	Starlite/ChEMBL	References
Homo sapiens	Janus kinase 1	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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.1752	0.6814
Plasmodium vivax	tubulin alpha chain, putative	0.0187	0.1752	0.6814
Echinococcus granulosus	tubulin alpha 1C chain	0.0187	0.1752	0.1752
Loa Loa (eye worm)	alpha-tubulin	0.0187	0.1752	0.5752
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Giardia lamblia	Beta tubulin	0.0247	0.2571	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.1752	0.1752
Trypanosoma brucei	epsilon tubulin	0.0134	0.103	0.4008
Schistosoma mansoni	tubulin subunit beta	0.0247	0.2571	0.2571
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0111	0.0721	0.2368
Brugia malayi	MH2 domain containing protein	0.0282	0.3045	1
Schistosoma mansoni	tubulin subunit beta	0.0247	0.2571	0.2571
Schistosoma mansoni	tubulin subunit beta	0.0247	0.2571	0.2571
Brugia malayi	Tubulin alpha chain	0.0187	0.1752	0.5752
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.1752	0.1752
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.1752	0.6814
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.1752	0.1752
Echinococcus granulosus	tubulin subunit TubB	0.0187	0.1752	0.1752
Leishmania major	beta tubulin	0.0247	0.2571	1
Trypanosoma cruzi	tubulin gamma chain	0.0134	0.103	0.4008
Entamoeba histolytica	tubulin family protein	0.0247	0.2571	1
Schistosoma mansoni	alpha tubulin	0.0187	0.1752	0.1752
Leishmania major	beta tubulin	0.0247	0.2571	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.1752	0.1752
Loa Loa (eye worm)	alpha-tubulin	0.0187	0.1752	0.5752
Trichomonas vaginalis	tubulin, putative	0.0247	0.2571	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Brugia malayi	Tubulin beta chain	0.0076	0.024	0.0787
Leishmania major	beta tubulin	0.0247	0.2571	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0775	0.2546
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Schistosoma mansoni	tubulin subunit beta	0.0247	0.2571	0.2571
Toxoplasma gondii	beta-tubulin, putative	0.0247	0.2571	1
Entamoeba histolytica	tubulin family protein	0.0247	0.2571	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0134	0.103	0.103
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0187	0.1752	0.5752
Trypanosoma brucei	beta tubulin	0.0247	0.2571	1
Schistosoma mansoni	tubulin subunit beta	0.0247	0.2571	0.2571
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.1752	0.1752
Entamoeba histolytica	tubulin alpha chain, putative	0.0187	0.1752	0.4682
Loa Loa (eye worm)	BEN-1 protein	0.0247	0.2571	0.8442
Trichomonas vaginalis	tubulin, putative	0.0076	0.024	0.0932
Leishmania major	gamma-tubulin	0.0134	0.103	0.4008
Echinococcus granulosus	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Leishmania major	epsilon tubulin, putative	0.0134	0.103	0.4008
Toxoplasma gondii	beta tubulin	0.0247	0.2571	1
Schistosoma mansoni	alpha tubulin	0.0187	0.1752	0.1752
Schistosoma mansoni	tubulin subunit epsilon	0.0134	0.103	0.103
Echinococcus granulosus	tubulin epsilon chain	0.0134	0.103	0.103
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Trypanosoma brucei	epsilon tubulin	0.0134	0.103	0.4008
Echinococcus multilocularis	peroxisome assembly protein 26	0.0187	0.1752	0.1752
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0247	0.2571	0.2571
Schistosoma mansoni	cellular tumor antigen P53	0.0115	0.0775	0.0775
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0187	0.1752	0.6814
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0129	0.0961	0.3156
Giardia lamblia	Beta tubulin	0.0247	0.2571	1
Trypanosoma brucei	tubulin gamma chain	0.0134	0.103	0.4008
Echinococcus granulosus	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.1752	0.1752
Loa Loa (eye worm)	tubulin alpha 2	0.0129	0.0961	0.3156
Loa Loa (eye worm)	tubulin beta chain	0.0247	0.2571	0.8442
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.1752	0.1752
Echinococcus multilocularis	tubulin alpha 3 chain	0.0187	0.1752	0.1752
Echinococcus multilocularis	tubulin gamma 1 chain	0.0134	0.103	0.103
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0134	0.103	0.4008
Trypanosoma cruzi	alpha tubulin, putative	0.0187	0.1752	0.6814
Brugia malayi	latrophilin 2 splice variant baaae	0.008	0.0304	0.0999
Echinococcus granulosus	tumor protein p63	0.0786	0.9907	0.9907
Echinococcus granulosus	tubulin beta 4A class IVa	0.0247	0.2571	0.2571
Leishmania major	beta tubulin	0.0247	0.2571	1
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Echinococcus granulosus	tubulin alpha 3 chain	0.0187	0.1752	0.1752
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.1752	0.1752
Echinococcus multilocularis	tubulin alpha 1C chain	0.0187	0.1752	0.1752
Echinococcus granulosus	beta tubulin	0.0247	0.2571	0.2571
Trichomonas vaginalis	tubulin alpha chain, putative	0.0247	0.2571	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Brugia malayi	tubulin alpha-2 chain	0.0187	0.1752	0.5752
Leishmania major	beta tubulin	0.0247	0.2571	1
Loa Loa (eye worm)	tubulin alpha chain	0.0187	0.1752	0.5752
Trypanosoma brucei	epsilon tubulin	0.0134	0.103	0.4008
Echinococcus multilocularis	tubulin subunit TubB	0.0187	0.1752	0.1752
Echinococcus multilocularis	tubulin alpha	0.0134	0.103	0.103
Echinococcus multilocularis	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.1752	0.1752
Plasmodium falciparum	alpha tubulin 2	0.0187	0.1752	0.6814
Giardia lamblia	Alpha-tubulin	0.0187	0.1752	0.6814
Trichomonas vaginalis	tubulin alpha chain, putative	0.0076	0.024	0.0932
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0129	0.0961	0.3738
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0076	0.024	0.0932
Echinococcus granulosus	tubulin alpha chain	0.0187	0.1752	0.1752
Leishmania major	beta tubulin	0.0247	0.2571	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Leishmania major	beta tubulin	0.0247	0.2571	1
Leishmania major	beta tubulin	0.0247	0.2571	1
Leishmania major	beta tubulin	0.0247	0.2571	1
Brugia malayi	Tubulin alpha-2 chain	0.0187	0.1752	0.5752
Leishmania major	beta tubulin	0.0247	0.2571	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0111	0.0721	0.2805
Echinococcus multilocularis	tubulin beta 1 chain	0.0247	0.2571	0.2571
Echinococcus granulosus	tubulin alpha	0.0134	0.103	0.103
Toxoplasma gondii	alpha-tubulin I, putative	0.0187	0.1752	0.6814
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Brugia malayi	Tubulin gamma chain	0.0134	0.103	0.3384
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0247	0.2571	1
Brugia malayi	tubulin alpha chain - mouse	0.0187	0.1752	0.5752
Plasmodium vivax	tubulin beta chain, putative	0.0247	0.2571	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0134	0.103	0.4008
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0721	0.2368
Trypanosoma cruzi	epsilon tubulin, putative	0.0134	0.103	0.4008
Trichomonas vaginalis	tubulin gamma chain, putative	0.0134	0.103	0.4008
Loa Loa (eye worm)	tubulin beta-2A chain	0.0247	0.2571	0.8442
Giardia lamblia	Alpha-tubulin	0.0187	0.1752	0.6814
Loa Loa (eye worm)	tubulin beta-4 chain	0.0247	0.2571	0.8442
Leishmania major	beta tubulin	0.0247	0.2571	1
Trypanosoma brucei	beta tubulin	0.0247	0.2571	1
Loa Loa (eye worm)	beta-tubulin	0.0247	0.2571	0.8442
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Onchocerca volvulus		0.0115	0.0775	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0282	0.3045	1
Plasmodium vivax	tubulin gamma chain, putative	0.0134	0.103	0.4008
Echinococcus granulosus	tubulin alpha chain	0.0187	0.1752	0.1752
Leishmania major	beta tubulin	0.0247	0.2571	1
Leishmania major	beta tubulin	0.0247	0.2571	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0247	0.2571	0.8442
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0247	0.2571	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0187	0.1752	0.1752
Trichomonas vaginalis	tubulin beta chain, putative	0.0076	0.024	0.0932
Trichomonas vaginalis	tubulin beta chain, putative	0.0247	0.2571	1
Echinococcus multilocularis	beta tubulin	0.0247	0.2571	0.2571
Plasmodium falciparum	tubulin beta chain	0.0247	0.2571	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0076	0.024	0.0932
Echinococcus granulosus	tubulin alpha chain	0.0187	0.1752	0.1752
Trichomonas vaginalis	tubulin gamma chain, putative	0.0247	0.2571	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0187	0.1752	0.6814
Trypanosoma brucei	beta tubulin	0.0134	0.103	0.4008
Trypanosoma brucei	beta tubulin	0.0247	0.2571	1
Plasmodium falciparum	alpha tubulin 1	0.0187	0.1752	0.6814
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0811	0.2663
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.1752	0.6814
Echinococcus multilocularis	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0961	0.3156
Schistosoma mansoni	tubulin subunit beta	0.0247	0.2571	0.2571
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0118	0.0811	0.2663
Echinococcus granulosus	tubulin alpha 1C chain	0.0187	0.1752	0.1752
Loa Loa (eye worm)	transcription factor SMAD2	0.0282	0.3045	1
Brugia malayi	beta-tubulin, identical	0.0247	0.2571	0.8442
Echinococcus granulosus	alpha tubulin	0.0187	0.1752	0.1752
Schistosoma mansoni	tubulin subunit gamma	0.0134	0.103	0.103
Giardia lamblia	Beta tubulin	0.0247	0.2571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0304	0.0999
Brugia malayi	alpha-tubulin	0.0187	0.1752	0.5752
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0118	0.0811	0.2663
Plasmodium falciparum	tubulin gamma chain	0.0134	0.103	0.4008
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.1752	0.6814
Echinococcus multilocularis	tubulin alpha 1C chain	0.0187	0.1752	0.1752
Trichomonas vaginalis	tubulin alpha chain, putative	0.0134	0.103	0.4008
Loa Loa (eye worm)	tubulin gamma chain	0.0134	0.103	0.3384
Trypanosoma brucei	alpha tubulin	0.0187	0.1752	0.6814
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.1752	0.1752
Leishmania major	beta tubulin	0.0247	0.2571	1
Loa Loa (eye worm)	hypothetical protein	0.0187	0.1752	0.5752
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Echinococcus multilocularis	tumor protein p63	0.0786	0.9907	0.9907
Echinococcus multilocularis	tubulin subunit beta	0.0247	0.2571	0.2571
Echinococcus multilocularis	hypothetical protein	0.0187	0.1752	0.1752
Trichomonas vaginalis	tubulin gamma chain, putative	0.0134	0.103	0.4008
Plasmodium vivax	tubulin alpha chain, putative	0.0187	0.1752	0.6814
Echinococcus granulosus	beta tubulin	0.0247	0.2571	0.2571
Loa Loa (eye worm)	BEN-1 protein	0.0247	0.2571	0.8442
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.1752	0.6814
Brugia malayi	Tubulin alpha-2 chain	0.0187	0.1752	0.5752
Trypanosoma brucei	alpha tubulin, putative	0.0076	0.024	0.0932
Echinococcus multilocularis	tubulin alpha 3 chain	0.0187	0.1752	0.1752
Echinococcus granulosus	tubulin alpha chain	0.0187	0.1752	0.1752
Leishmania major	beta tubulin	0.0247	0.2571	1
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.1752	0.1752
Toxoplasma gondii	beta-1 tubulin, putative	0.0247	0.2571	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0076	0.024	0.0932
Plasmodium vivax	tubulin epsilon chain, putative	0.0134	0.103	0.4008
Trypanosoma brucei	beta tubulin	0.0247	0.2571	1
Leishmania major	beta tubulin	0.0247	0.2571	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0118	0.0811	0.2663
Echinococcus multilocularis	beta tubulin	0.0247	0.2571	0.2571
Toxoplasma gondii	alpha tubulin TUBA1	0.0187	0.1752	0.6814
Schistosoma mansoni	hypothetical protein	0.008	0.0304	0.0304
Loa Loa (eye worm)	tubulin alpha chain	0.0187	0.1752	0.5752
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Entamoeba histolytica	tubulin alpha-1 chain	0.0187	0.1752	0.4682
Trypanosoma brucei	alpha tubulin	0.0187	0.1752	0.6814
Echinococcus granulosus	tubulin alpha chain	0.0187	0.1752	0.1752
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Trichomonas vaginalis	tubulin, putative	0.0076	0.024	0.0932
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.1752	0.6814
Trypanosoma cruzi	beta tubulin, putative	0.0247	0.2571	1
Echinococcus granulosus	tubulin beta 1 chain	0.0247	0.2571	0.2571
Trypanosoma brucei	alpha tubulin	0.0187	0.1752	0.6814
Leishmania major	beta tubulin	0.0247	0.2571	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.1752	0.1752
Echinococcus granulosus	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Leishmania major	beta tubulin	0.0247	0.2571	1
Giardia lamblia	Gamma tubulin	0.0134	0.103	0.4008
Echinococcus granulosus	peroxisome assembly protein 26	0.0187	0.1752	0.1752
Loa Loa (eye worm)	tubulin alpha 2	0.0129	0.0961	0.3156
Trypanosoma brucei	alpha tubulin	0.0187	0.1752	0.6814
Echinococcus multilocularis	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Trypanosoma cruzi	epsilon tubulin, putative	0.0134	0.103	0.4008
Echinococcus multilocularis	tubulin epsilon chain	0.0134	0.103	0.103
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0187	0.1752	0.6814
Echinococcus multilocularis	Tubulin beta 2C chain	0.0247	0.2571	0.2571
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.1752	0.1752
Leishmania major	alpha tubulin	0.0187	0.1752	0.6814
Brugia malayi	Tubulin beta-1 chain	0.0247	0.2571	0.8442
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.1752	0.1752
Schistosoma mansoni	alpha tubulin	0.0187	0.1752	0.1752
Echinococcus granulosus	tubulin subunit beta	0.0247	0.2571	0.2571

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 148 nM	Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP	ChEMBL.	23214979
IC50 (binding)	= 345.4 nM	Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP	ChEMBL.	23214979
IC50 (binding)	= 870.7 nM	Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured after 1 hr by scintillation counting analysis in presence of [gamma-33P]ATP	ChEMBL.	23214979

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: CHEMBL2325911

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1726639