TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 329.827 | Formula: C17H20ClN5
H donors: 3 H acceptors: 2 LogP: 2.91 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncc(c(n1)N)Cc1cc(Cl)c2c(c1)C(=CC(N2)(C)C)C
InChi: 1S/C17H20ClN5/c1-9-7-17(2,3)23-14-12(9)5-10(6-13(14)18)4-11-8-21-16(20)22-15(11)19/h5-8,23H,4H2,1-3H3,(H4,19,20,21,22)
InChiKey: OROOCWGRYQICCX-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	Dihydrofolate reductase type 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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase type 1	157 aa	174 aa	34.5 %
Onchocerca volvulus	Putative dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	171 aa	24.6 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase type 1	157 aa	179 aa	27.4 %
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase type 1	157 aa	143 aa	26.6 %
Candida albicans	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Dihydrofolate reductase type 1	157 aa	142 aa	29.6 %
Plasmodium berghei	AP2 domain transcription factor, putative	Dihydrofolate reductase type 1	157 aa	140 aa	23.6 %
Onchocerca volvulus	Germline survival defective-1 homolog	Dihydrofolate reductase type 1	157 aa	161 aa	24.2 %
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Dihydrofolate reductase type 1	157 aa	148 aa	26.4 %
Brugia malayi	dihydrofolate reductase family protein	Dihydrofolate reductase type 1	157 aa	144 aa	26.4 %
Dictyostelium discoideum	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	159 aa	30.2 %
Schistosoma mansoni	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	149 aa	28.9 %
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase type 1	157 aa	143 aa	26.6 %
Chlamydia trachomatis	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Dihydrofolate reductase type 1	157 aa	173 aa	33.5 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase type 1	157 aa	168 aa	26.2 %
Echinococcus granulosus	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	171 aa	25.1 %
Candida albicans	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Echinococcus multilocularis	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	168 aa	25.6 %
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Dihydrofolate reductase type 1	157 aa	159 aa	23.9 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase type 1	157 aa	128 aa	25.0 %
Candida albicans	hypothetical protein	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	protein kinase, putative	0.0067	0.0597	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.2648
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0031	0.0201	0.2751
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0067	0.0597	0.0903
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0049	0.0399	0.5444
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0067	0.0597	0.0903
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0049	0.0399	0.5444
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0066	0.0582	0.2583
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0049	0.0399	0.5444
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0067	0.0597	0.0597
Mycobacterium ulcerans	sugar transporter	0.0031	0.0201	0.2751
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Plasmodium vivax	proline--tRNA ligase, putative	0.0076	0.0701	0.0701
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0031	0.0201	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Onchocerca volvulus		0.0031	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0068	0.0606	0.8279
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.2648
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.2648
Plasmodium falciparum	hexose transporter	0.0219	0.2253	0.2253
Schistosoma mansoni	sugar transporter	0.0031	0.0201	0.0894
Onchocerca volvulus		0.0031	0.0201	0.5
Giardia lamblia	Sugar-proton symporter	0.0031	0.0201	0.346
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0041	0.0318	0.4347
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0041	0.0318	0.4347
Trypanosoma cruzi	hexose transporter, putative	0.0031	0.0201	0.2751
Onchocerca volvulus		0.0031	0.0201	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.2648
Onchocerca volvulus		0.0031	0.0201	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0606	0.269
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.8279
Giardia lamblia	Prolyl-tRNA synthetase	0.0066	0.0582	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0031	0.0201	0.0894
Schistosoma mansoni	dihydrofolate reductase	0.0079	0.0732	0.3249
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0066	0.0582	0.2583
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0031	0.0201	0.0894
Onchocerca volvulus	Putative transporter	0.0031	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0079	0.0732	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus multilocularis	calcium dependent protein kinase	0.0063	0.0552	0.2448
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0448	0.1987
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.8279
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0049	0.0399	0.5444
Toxoplasma gondii	sugar transporter ST3	0.0031	0.0201	0.0305
Brugia malayi	Sugar transporter family protein	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0031	0.0201	0.0894
Trypanosoma brucei	glucose transporter 1E	0.0068	0.0606	0.8279
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0066	0.0582	0.2583
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0068	0.0606	0.8279
Onchocerca volvulus		0.0031	0.0201	0.5
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.8279
Brugia malayi	Sugar transporter family protein	0.0219	0.2253	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0076	0.0701	0.106
Leishmania major	lysyl-tRNA synthetase, putative	0.0049	0.0399	0.5444
Trypanosoma cruzi	hexose transporter, putative	0.0037	0.027	0.3694
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0067	0.0597	0.0597
Schistosoma mansoni	sugar transporter	0.0031	0.0201	0.0894
Brugia malayi	major facilitator superfamily protein	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Brugia malayi	hypothetical protein	0.0031	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0031	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST1	0.0031	0.0201	0.0305
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0031	0.0201	0.2751
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0066	0.0582	0.2583
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0076	0.0701	0.957
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0066	0.0582	0.2583
Schistosoma mansoni	glucose transport protein	0.0219	0.2253	1
Loa Loa (eye worm)	sugar transporter	0.0219	0.2253	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0067	0.0597	0.2648
Trichomonas vaginalis	conserved hypothetical protein	0.0219	0.2253	1
Plasmodium falciparum	proline--tRNA ligase	0.0076	0.0701	0.0701
Chlamydia trachomatis	proline--tRNA ligase	0.0023	0.0119	0.1621
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0031	0.0201	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.0031	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.8279
Brugia malayi	dihydrofolate reductase family protein	0.0079	0.0732	0.3249
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0066	0.0582	0.9752
Brugia malayi	Cam kinase protein 1	0.0067	0.0597	0.2648
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0597	0.2648
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.2648
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0067	0.0597	0.0597
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0067	0.0597	0.0903
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0067	0.0597	0.2648
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0067	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0068	0.0606	0.269
Plasmodium vivax	hexose transporter	0.0219	0.2253	0.2253
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0031	0.0201	0.0894
Onchocerca volvulus		0.0031	0.0201	0.5
Plasmodium vivax	lysine--tRNA ligase, putative	0.0049	0.0399	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0079	0.0732	1
Giardia lamblia	Hexose transporter	0.0031	0.0201	0.346
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus multilocularis	lysyl tRNA synthetase	0.0049	0.0399	0.1769
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0079	0.0732	0.0732
Brugia malayi	Sugar transporter family protein	0.0031	0.0201	0.0894
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0031	0.0201	0.2751
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0067	0.0597	0.0597
Schistosoma mansoni	glucose transport protein	0.0219	0.2253	1
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.8279
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.8279
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0076	0.0701	0.957
Plasmodium falciparum	protein kinase 7	0.0618	0.6612	0.6612
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0219	0.2253	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0076	0.0701	0.957
Onchocerca volvulus		0.0031	0.0201	0.5
Onchocerca volvulus		0.0031	0.0201	0.5
Leishmania major	myo-inositol/proton symporter (MIT)	0.0031	0.0201	0.2751
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus multilocularis	dihydrofolate reductase	0.0079	0.0732	0.3249
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0079	0.0732	1
Trichomonas vaginalis	glucose transporter, putative	0.0068	0.0606	0.269
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0219	0.2253	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0219	0.2253	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0066	0.0582	0.2583
Onchocerca volvulus		0.0031	0.0201	0.5
Echinococcus granulosus	synaptic vesicle 2 protein	0.0031	0.0201	0.0894
Plasmodium vivax	sugar transporter, putative	0.0031	0.0201	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Leishmania major	glucose transporter, lmgt3	0.0068	0.0606	0.8279
Trichomonas vaginalis	sugar transporter, putative	0.0068	0.0606	0.269
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0219	0.2253	1
Trypanosoma cruzi	hexose transporter	0.0068	0.0606	0.8279
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0067	0.0597	0.0597
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.8279
Toxoplasma gondii	lysine-tRNA ligase	0.0049	0.0399	0.0603
Echinococcus granulosus	solute carrier family 22	0.0031	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0068	0.0606	0.8279
Onchocerca volvulus		0.0031	0.0201	0.5
Entamoeba histolytica	hypothetical protein	0.0049	0.0399	0.6679
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0219	0.2253	1
Leishmania major	protein kinase, putative	0.0067	0.0597	0.8151
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0067	0.0597	0.0597
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0067	0.0597	0.0597
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0067	0.0597	0.0597
Mycobacterium ulcerans	integral membrane transport protein	0.0031	0.0201	0.2751
Trichomonas vaginalis	myo-inositol transporter, putative	0.0031	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST2	0.0031	0.0201	0.0305
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0031	0.0201	0.0201
Brugia malayi	major facilitator superfamily protein	0.0031	0.0201	0.0894
Schistosoma mansoni	protein kinase	0.0067	0.0597	0.2648
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0067	0.0597	0.2648
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0031	0.0201	0.0894
Chlamydia trachomatis	dihydrofolate reductase	0.0079	0.0732	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Brugia malayi	lysyl-tRNA synthetase	0.0049	0.0399	0.1769
Loa Loa (eye worm)	dihydrofolate reductase	0.0079	0.0732	0.3249
Trichomonas vaginalis	sugar transporter, putative	0.0068	0.0606	0.269
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0076	0.0701	0.957
Trypanosoma cruzi	sugar transporter, putative	0.0031	0.0201	0.2751
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0201	0.0894
Leishmania major	glucose transporter, lmgt2	0.0068	0.0606	0.8279
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0043	0.0333	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0582	0.2583
Onchocerca volvulus		0.0031	0.0201	0.5
Schistosoma mansoni	glucose transporter	0.0031	0.0201	0.0894
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0049	0.0399	0.5444
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0582	0.2583
Trypanosoma cruzi	hexose transporter, putative	0.0068	0.0606	0.8279
Echinococcus granulosus	calcium dependent protein kinase	0.0063	0.0552	0.2448
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0201	0.0894
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0031	0.0201	0.2751
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Schistosoma mansoni	glucose transport protein	0.0219	0.2253	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0928	1	1
Onchocerca volvulus		0.0031	0.0201	0.5
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0079	0.0732	1
Brugia malayi	Major Facilitator Superfamily protein	0.0031	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0201	0.0894
Echinococcus multilocularis	General substrate transporter	0.0188	0.1918	0.851
Trypanosoma brucei	glucose transporter 2A	0.0068	0.0606	0.8279
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0219	0.2253	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.0031	0.0201	0.0305
Trypanosoma brucei	sugar transporter, putative	0.0031	0.0201	0.2751
Entamoeba histolytica	protein kinase, putative	0.0067	0.0597	1
Plasmodium falciparum	lysine--tRNA ligase	0.0049	0.0399	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Loa Loa (eye worm)	sugar transporter	0.0031	0.0201	0.0894
Trypanosoma cruzi	glucose transporter, putative	0.0031	0.0201	0.2751
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0353	0.3724	0.3724
Echinococcus granulosus	lysyl tRNA synthetase	0.0049	0.0399	0.1769
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0068	0.0606	0.8279
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0068	0.0606	0.8279
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0027	0.016	0.0709
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.2648
Schistosoma mansoni	protein kinase	0.0067	0.0597	0.2648
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0219	0.2253	1
Onchocerca volvulus		0.0031	0.0201	0.5
Echinococcus granulosus	solute carrier family 22	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Leishmania major	glucose transporter, lmgt1	0.0068	0.0606	0.8279
Trichomonas vaginalis	sugar transport protein, putative	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0399	0.1769
Brugia malayi	Dihydrofolate reductase	0.0079	0.0732	0.3249
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0067	0.0597	0.2648
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0076	0.0701	0.957
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0353	0.3724	0.3724
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0041	0.0318	0.4347
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Toxoplasma gondii	facilitative glucose transporter GT1	0.0219	0.2253	0.3408
Trichomonas vaginalis	glucose transporter, putative	0.0068	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0023	0.0119	0.1621
Brugia malayi	Major Facilitator Superfamily protein	0.0031	0.0201	0.0894
Chlamydia trachomatis	lysine--tRNA ligase	0.0049	0.0399	0.5444
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0066	0.0582	0.7949
Giardia lamblia	Lysyl-tRNA synthetase	0.0049	0.0399	0.6849
Echinococcus granulosus	dihydrofolate reductase	0.0079	0.0732	0.3249
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0079	0.0732	1
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.8279
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Brugia malayi	hypothetical protein	0.0031	0.0201	0.0894
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0079	0.0732	0.0732
Treponema pallidum	prolyl-tRNA synthetase	0.0023	0.0119	1
Trichomonas vaginalis	glucose transporter, putative	0.0031	0.0201	0.0894
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0067	0.0597	0.8151
Leishmania major	hypothetical protein, conserved	0.0031	0.0201	0.2751
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0066	0.0582	0.2583
Onchocerca volvulus		0.0031	0.0201	0.5
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0049	0.0399	0.1769
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0219	0.2253	1
Onchocerca volvulus		0.0031	0.0201	0.5
Schistosoma mansoni	lysyl-tRNA synthetase	0.0049	0.0399	0.1769
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0201	0.0894
Brugia malayi	hypothetical protein	0.0031	0.0201	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.2648
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0079	0.0732	1
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0353	0.3724	0.5632
Trypanosoma cruzi	hexose transporter, putative	0.0068	0.0606	0.8279
Schistosoma mansoni	hypothetical protein	0.0219	0.2253	1
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0031	0.0201	0.2751
Echinococcus granulosus	General substrate transporter	0.0188	0.1918	0.851
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894
Onchocerca volvulus		0.0031	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Schistosoma mansoni	lysyl-tRNA synthetase	0.0049	0.0399	0.1769
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0079	0.0732	0.1107
Schistosoma mansoni	protein kinase	0.0067	0.0597	0.2648
Toxoplasma gondii	protein kinase, putative	0.0618	0.6612	1
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0606	0.269
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0894

Activities

Activity type	Activity value	Assay description	Source	Reference
I50 (binding)	= 34000000 M	Inhibitory activity against Dihydrofolate reductase in Escherichia coli	ChEMBL.	2666668
I50 (binding)	= 760000000000 M	Inhibitory activity against Dihydrofolate reductase in rat liver	ChEMBL.	2666668
IC50 (binding)	= 0.0000000034 M	Inhibitory activity against Dihydrofolate reductase in Escherichia coli	ChEMBL.	2666668
IC50 (binding)	= 0.000076 M	Inhibitory activity against Dihydrofolate reductase in rat liver	ChEMBL.	2666668
MIC (functional)	= 10 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Streptococcus pyogenes CN10	ChEMBL.	2666668
MIC (functional)	= 30 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Staphylococcus aureus CN491	ChEMBL.	2666668
MIC (functional)	= 30 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Salmonella typhimurium S 8587	ChEMBL.	2666668
MIC (functional)	= 30 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Salmonella typhi CN512	ChEMBL.	2666668
MIC (functional)	= 30 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Klebsiella pneumoniae CN3632	ChEMBL.	2666668
MIC (functional)	= 30 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Proteus vulgaris CN329	ChEMBL.	2666668
MIC (functional)	= 100 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Streptococcus agalactiae CN1143	ChEMBL.	2666668
MIC (functional)	= 100 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Vibrio cholerae ATCC 14035	ChEMBL.	2666668
MIC (functional)	= 100 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Shigella flexneri CN6007	ChEMBL.	2666668
MIC (functional)	= 100 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Escherichia coli CN314	ChEMBL.	2666668
MIC (functional)	= 100 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Escherichia coli CN314	ChEMBL.	2666668
MIC (functional)	= 300 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Streptococcus faecalis CN478	ChEMBL.	2666668
MIC (functional)	= 300 ug ml-1	Comparative invitro antibacterial activity of compound with trimethoprim against Enterobacter aerogenes 2200/86	ChEMBL.	2666668

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: CHEMBL294678

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 85364