TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 358.41 | Formula: C19H23FN4O2
H donors: 1 H acceptors: 3 LogP: 3.1 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(C(=O)Nc1n(C)nc(c1C(=O)c1ccccc1F)C)N1CCCC1
InChi: 1S/C19H23FN4O2/c1-12-16(17(25)14-8-4-5-9-15(14)20)18(23(3)22-12)21-19(26)13(2)24-10-6-7-11-24/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,21,26)
InChiKey: WOBOCNUFGSNYDE-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

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Dopamine receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Dopamine receptor	475 aa	405 aa	33.3 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Dopamine receptor	475 aa	398 aa	34.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Schistosoma mansoni	protein kinase	0.0032	0.06	0.2661
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0274	0.386
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Onchocerca volvulus		0.0015	0.0205	1
Onchocerca volvulus		0.0015	0.0205	1
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0205	0.0909
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.061	0.8651
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0402	0.0399
Leishmania major	glucose transporter, lmgt2	0.0033	0.061	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0205	0.0909
Plasmodium vivax	hexose transporter	0.0105	0.2256	0.2253
Trypanosoma brucei	glucose transporter, putative	0.0033	0.061	0.8651
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0205	0.0909
Echinococcus multilocularis	Threonyl tRNA synthetase, C	0.0006	0.0004	0.0017
Trypanosoma cruzi	sugar transporter, putative	0.0015	0.0205	0.2874
Trypanosoma brucei	glucose transporter, putative	0.0033	0.061	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0205	0.0909
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trichomonas vaginalis	glucose transporter, putative	0.0015	0.0205	0.0894
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0033	0.061	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0205	0.0909
Echinococcus granulosus	glycyl tRNA synthetase	0.0006	0.0004	0.0017
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0337	0.1477
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0402	0.1783
Schistosoma mansoni	glycyl-tRNA synthetase	0.0006	0.0004	0.0017
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0402	0.5689
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0205	0.0909
Trypanosoma brucei	glucose transporter 2A	0.0033	0.061	0.8651
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0122	1
Loa Loa (eye worm)	glycyl-tRNA synthetase	0.0006	0.0004	0.0017
Trichomonas vaginalis	sugar transport protein, putative	0.0015	0.0205	0.0894
Brugia malayi	major facilitator superfamily protein	0.0015	0.0205	0.0909
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0205	0.6328
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0402	1
Trypanosoma brucei	glucose transporter 1E	0.0033	0.061	0.8651
Trypanosoma cruzi	hexose transporter, putative	0.0015	0.0205	0.2874
Giardia lamblia	Sugar-proton symporter	0.0015	0.0205	0.346
Schistosoma mansoni	protein kinase	0.0032	0.06	0.2661
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.061	0.269
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0402	0.5689
Brugia malayi	hypothetical protein	0.0015	0.0205	0.0909
Echinococcus granulosus	solute carrier family 22	0.0015	0.0205	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Trypanosoma brucei	sugar transporter, putative	0.0015	0.0205	0.2874
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0205	0.0909
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0586	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0032	0.06	0.2661
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0601	0.0903
Schistosoma mansoni	glucose transport protein	0.0105	0.2256	1
Onchocerca volvulus		0.0015	0.0205	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Onchocerca volvulus		0.0015	0.0205	1
Leishmania major	glucose transporter, lmgt3	0.0033	0.061	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.06	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0122	0.2978
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0586	0.2595
Brugia malayi	major facilitator superfamily protein	0.0015	0.0205	0.0909
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0205	0.0305
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0402	0.6849
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0322	0.5469
Brugia malayi	hypothetical protein	0.0015	0.0205	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0586	0.2595
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0402	0.1783
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0586	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0586	0.2595
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.06	0.2661
Onchocerca volvulus		0.0015	0.0205	1
Giardia lamblia	Hexose transporter	0.0015	0.0205	0.346
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0322	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2256	1
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0205	0.2874
Trypanosoma cruzi	glucose transporter, putative	0.0015	0.0205	0.2874
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0586	0.2595
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.061	0.269
Trichomonas vaginalis	conserved hypothetical protein	0.0105	0.2256	1
Entamoeba histolytica	protein kinase, putative	0.0032	0.06	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.06	0.2661
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0402	0.1783
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0205	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.06	0.2661
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.061	0.8651
Plasmodium vivax	sugar transporter, putative	0.0015	0.0205	0.0201
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0105	0.2256	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2256	1
Schistosoma mansoni	protein kinase	0.0032	0.06	0.2661
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.061	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.061	0.269
Trypanosoma cruzi	hexose transporter	0.0033	0.061	0.8651
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.061	0.8651
Schistosoma mansoni	hypothetical protein	0.0105	0.2256	1
Plasmodium falciparum	protein kinase 7	0.0297	0.6613	0.6612
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0205	1
Brugia malayi	Sugar transporter family protein	0.0105	0.2256	1
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.0555	0.246
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0601	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Echinococcus granulosus	Threonyl tRNA synthetase C	0.0006	0.0004	0.0017
Schistosoma mansoni	sugar transporter	0.0015	0.0205	0.0909
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0704	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0205	0.0909
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0163	0.0724
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0205	0.5052
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Schistosoma mansoni	sugar transporter	0.0015	0.0205	0.0909
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0704	1
Leishmania major	protein kinase, putative	0.0032	0.06	0.8517
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.06	0.8517
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2256	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.06	0.2661
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0586	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0586	0.9752
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0586	0.2595
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0704	1
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.06	0.2661
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0601	0.0597
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0586	0.2583
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0402	1
Onchocerca volvulus		0.0015	0.0205	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0205	0.0894
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0586	0.2595
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.061	0.269
Schistosoma mansoni	glucose transport protein	0.0105	0.2256	1
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0402	0.5689
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.061	0.269
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2256	1
Loa Loa (eye worm)	sugar transporter	0.0105	0.2256	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0205	0.5052
Echinococcus multilocularis	glycyl tRNA synthetase	0.0006	0.0004	0.0017
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0402	0.0603
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.0555	0.246
Schistosoma mansoni	glucose transport protein	0.0105	0.2256	1
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0205	0.5052
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.06	0.2661
Onchocerca volvulus		0.0015	0.0205	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.061	0.8651
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0205	0.0894
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.06	0.2661
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0601	0.0597
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0205	0.0909
Plasmodium falciparum	mitogen-activated protein kinase 2	0.017	0.3726	0.3724
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0205	0.0305
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0205	0.0909
Loa Loa (eye worm)	sugar transporter	0.0015	0.0205	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0586	0.2595
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0402	0.1783
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2256	1
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0205	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Brugia malayi	glycyl-tRNA synthetase	0.0006	0.0004	0.0017
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.061	0.269
Echinococcus granulosus	General substrate transporter	0.009	0.1921	0.8513
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0205	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2256	1
Trichomonas vaginalis	myo-inositol transporter, putative	0.0015	0.0205	0.0894
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0446	1	1
Onchocerca volvulus		0.0015	0.0205	1
Schistosoma mansoni	sugar transporter	0.0015	0.0205	0.0909
Plasmodium vivax	proline--tRNA ligase, putative	0.0037	0.0704	0.0701
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.06	0.2661
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0402	1
Onchocerca volvulus		0.0015	0.0205	1
Brugia malayi	hypothetical protein	0.0015	0.0205	0.0909
Echinococcus granulosus	solute carrier family 22	0.0015	0.0205	0.0909
Entamoeba histolytica	hypothetical protein	0.0023	0.0402	0.6679
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0601	0.0903
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Brugia malayi	Sugar transporter family protein	0.0015	0.0205	0.0909
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0402	0.1783
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Trypanosoma brucei	glucose transporter, putative	0.0033	0.061	0.8651
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.061	0.8651
Onchocerca volvulus		0.0015	0.0205	1
Echinococcus granulosus	solute carrier family 22	0.0015	0.0205	0.0909
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.061	0.269
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0205	0.6328
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0015	0.0205	0.2874
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0704	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0017
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.06	0.2661
Onchocerca volvulus		0.0015	0.0205	1
Onchocerca volvulus		0.0015	0.0205	1
Echinococcus granulosus	solute carrier family 22	0.0015	0.0205	0.0909
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0601	0.0597
Plasmodium falciparum	proline--tRNA ligase	0.0037	0.0704	0.0701
Schistosoma mansoni	glucose transporter	0.0015	0.0205	0.0909
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.06	0.2661
Brugia malayi	Cam kinase protein 1	0.0032	0.06	0.2661
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0451	0.2
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0601	0.0597
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0205	0.0909
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.06	0.2661
Loa Loa (eye worm)	threonyl-tRNA synthetase	0.0006	0.0004	0.0017
Onchocerca volvulus		0.0015	0.0205	1
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0601	0.0597
Toxoplasma gondii	protein kinase, putative	0.0297	0.6613	1
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0205	0.0201
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0205	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.061	0.8651
Toxoplasma gondii	facilitative glucose transporter GT1	0.0105	0.2256	0.3408
Mycobacterium ulcerans	sugar transporter	0.0015	0.0205	0.5052
Echinococcus multilocularis	General substrate transporter	0.009	0.1921	0.8513
Onchocerca volvulus	Putative transporter	0.0015	0.0205	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Brugia malayi	threonyl-tRNA synthetase, cytoplasmic	0.0006	0.0004	0.0017
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0205	0.0909
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0601	0.0597
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.017	0.3726	0.3724
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0601	0.0597
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0704	1
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0205	0.0305
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Plasmodium falciparum	hexose transporter	0.0105	0.2256	0.2253
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0402	0.1783
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0205	0.0909
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0402	0.1769
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0037	0.0704	0.106
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0122	0.2978
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0601	0.0597
Onchocerca volvulus		0.0015	0.0205	1
Schistosoma mansoni	sugar transporter	0.0015	0.0205	0.0909
Onchocerca volvulus		0.0015	0.0205	1
Trypanosoma brucei	glucose transporter, putative	0.0033	0.061	0.8651
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0322	1
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.061	0.8651
Trypanosoma brucei	glucose transporter, putative	0.0033	0.061	0.8651
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0402	0.6849
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0402	0.0399
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.06	0.2661
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0205	0.0909
Brugia malayi	probable proline-trna synthetase - fission yeast, putative	0.0006	0.0004	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0205	0.0909
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2256	1
Brugia malayi	Sugar transporter family protein	0.0015	0.0205	0.0909
Leishmania major	glucose transporter, lmgt1	0.0033	0.061	0.8651
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0601	0.0903
Trypanosoma brucei	glucose transporter, putative	0.0033	0.061	0.8651
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.017	0.3726	0.5632
Onchocerca volvulus		0.0015	0.0205	1
Entamoeba histolytica	protein kinase, putative	0.0032	0.06	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0205	0.0894
Leishmania major	hypothetical protein, conserved	0.0015	0.0205	0.2874

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	> 100 mg kg-1	Suppression of conditional avoidance after peroral administration	ChEMBL.	2875184
IC50 (binding)	> 10 uM	Binding affinity for dopamine receptor in rat striatal membrane using [3H]-haloperidol as radioligand	ChEMBL.	2875184
IC50 (binding)	> 10 uM	Binding affinity for dopamine receptor in rat striatal membrane using [3H]-haloperidol as radioligand	ChEMBL.	2875184
MED (functional)	= 100 mg kg-1	Ability to inhibit locomotor activity using ataxia test.	ChEMBL.	2875184
MED (functional)	= 100 mg kg-1	Ability to inhibit locomotor activity using ataxia test.	ChEMBL.	2875184

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: CHEMBL40489

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 58304