TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 425.444 | Formula: C19H23N9O3
H donors: 6 H acceptors: 7 LogP: -2.96 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: NCCCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(N)nc(n2)N
InChi: 1S/C19H23N9O3/c20-7-1-2-13(18(30)31)26-17(29)10-3-5-11(6-4-10)23-8-12-9-24-16-14(25-12)15(21)27-19(22)28-16/h3-6,9,13,23H,1-2,7-8,20H2,(H,26,29)(H,30,31)(H4,21,22,24,27,28)
InChiKey: WNGBWNCQSARWSJ-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
Homo sapiens	dihydrofolate reductase	Starlite/ChEMBL	References
Mus musculus	folylpolyglutamyl synthetase	Starlite/ChEMBL	References
Mus musculus	dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	similar to S. cerevisiae YMR113W	Get druggable targets OG5_126889	All targets in OG5_126889
Trypanosoma brucei	folylpolyglutamate synthase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Theileria parva	dihydrofolate synthase/folylpolyglutamate synthase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	Get druggable targets OG5_126889	All targets in OG5_126889
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	Get druggable targets OG5_126889	All targets in OG5_126889
Schistosoma japonicum	ko:K01930 folylpolyglutamate synthase [EC6.3.2.17], putative	Get druggable targets OG5_126889	All targets in OG5_126889
Leishmania major	folylpolyglutamate synthetase	Get druggable targets OG5_126889	All targets in OG5_126889
Brugia malayi	Dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	Folylpolyglutamate synthase, mitochondrial precursor, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Trypanosoma cruzi	folylpolyglutamate synthase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Trypanosoma brucei gambiense	folylpolyglutamate-dihydrofolate synthetase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Plasmodium knowlesi	dihydrofolate synthase/folylpolyglutamate synthase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Schistosoma japonicum	ko:K01930 folylpolyglutamate synthase [EC6.3.2.17], putative	Get druggable targets OG5_126889	All targets in OG5_126889
Leishmania donovani	folylpolyglutamate synthetase	Get druggable targets OG5_126889	All targets in OG5_126889
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	Get druggable targets OG5_126889	All targets in OG5_126889
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	Get druggable targets OG5_126889	All targets in OG5_126889
Candida albicans	hypothetical protein	Get druggable targets OG5_126889	All targets in OG5_126889
Leishmania mexicana	folylpolyglutamate synthetase	Get druggable targets OG5_126889	All targets in OG5_126889
Loa Loa (eye worm)	FolC protein	Get druggable targets OG5_126889	All targets in OG5_126889
Neospora caninum	hypothetical protein	Get druggable targets OG5_126889	All targets in OG5_126889
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	Get druggable targets OG5_126889	All targets in OG5_126889
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Get druggable targets OG5_128410	All targets in OG5_128410
Treponema pallidum	folylpolyglutamate synthetase (folC)	Get druggable targets OG5_126889	All targets in OG5_126889
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus multilocularis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Onchocerca volvulus	Putative folylpolyglutamate synthase	Get druggable targets OG5_126889	All targets in OG5_126889
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	Get druggable targets OG5_126889	All targets in OG5_126889
Candida albicans	similar to S. cerevisiae MET7 (YOR241W) folylpolyglutamate synthetase involved in folate coenzyme metabolism	Get druggable targets OG5_126889	All targets in OG5_126889
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania braziliensis	folylpolyglutamate synthetase	Get druggable targets OG5_126889	All targets in OG5_126889
Plasmodium yoelii	dihydrofolate synthase/folylpolyglutamate synthase	Get druggable targets OG5_126889	All targets in OG5_126889
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	Get druggable targets OG5_126889	All targets in OG5_126889
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	Get druggable targets OG5_126889	All targets in OG5_126889
Brugia malayi	FolC bifunctional protein	Get druggable targets OG5_126889	All targets in OG5_126889
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma mansoni	folylpolyglutamate synthase	Get druggable targets OG5_126889	All targets in OG5_126889
Chlamydia trachomatis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	hypothetical protein	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania infantum	folylpolyglutamate synthetase	Get druggable targets OG5_126889	All targets in OG5_126889
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Plasmodium berghei	dihydrofolate synthase/folylpolyglutamate synthase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Loa Loa (eye worm)	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Trypanosoma cruzi	folylpolyglutamate synthetase	Get druggable targets OG5_126889	All targets in OG5_126889
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	similar to S. cerevisiae MET7 (YOR241W) folylpolyglutamate synthetase involved in folate coenzyme metabolism	Get druggable targets OG5_126889	All targets in OG5_126889
Toxoplasma gondii	bifunctional protein FolC subfamily protein	Get druggable targets OG5_126889	All targets in OG5_126889

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	dihydrofolate reductase	187 aa	202 aa	29.7 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	dihydrofolate reductase	187 aa	207 aa	30.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0037	0.021	0.0269
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Schistosoma mansoni	unc-13 (munc13)	0.003	0.0123	0.0157
Echinococcus multilocularis	AMP dependent ligase	0.003	0.0122	0.0122
Schistosoma mansoni	chromatin regulatory protein sir2	0.0116	0.124	0.1589
Leishmania major	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0434	0.5355	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0175	0.2009	0.3751
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0116	0.124	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0116	0.124	0.2316
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0037	0.021	0.0269
Schistosoma mansoni	rac gtpase activating protein	0.0025	0.0056	0.0072
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.014	0.1544	0.2882
Schistosoma mansoni	protein kinase C	0.003	0.0123	0.0157
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.0116	0.124	0.2316
Echinococcus granulosus	unc 13 munc13	0.003	0.0123	0.0157
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0175	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Entamoeba histolytica	hypothetical protein	0.0023	0.0027	0.0218
Loa Loa (eye worm)	NADH-ubiquinone oxidoreductase 51 kDa subunit	0.0434	0.5355	0.6858
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0095	0.0334
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0067	0.0599	0.0767
Toxoplasma gondii	hypothetical protein	0.0048	0.0351	0.0661
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0112	0.0211
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0027	0.0051
Schistosoma mansoni	unc-13 (munc13)	0.003	0.0123	0.0157
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.2733	0.5103
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.003	0.0123	0.0157
Onchocerca volvulus		0.003	0.0122	0.0234
Echinococcus granulosus	raf serine:threonine protein kinase	0.0025	0.0056	0.0072
Echinococcus multilocularis	NADH dehydrogenase (ubiquinone) flavoprotein 1	0.0434	0.5355	0.5355
Onchocerca volvulus		0.003	0.0122	0.0234
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.1544	0.2882
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0434	0.5355	1
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0169	0.1931	0.2473
Brugia malayi	Pre-SET motif family protein	0.0203	0.2369	0.3034
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0027	0.0051
Echinococcus granulosus	protein kinase c eta type	0.0025	0.0056	0.0072
Echinococcus multilocularis	snurportin 1	0.0297	0.359	0.359
Brugia malayi	Protein kinase domain containing protein	0.0027	0.0086	0.0111
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Echinococcus granulosus	acyl carrier protein mitochondrial	0.003	0.0122	0.0156
Echinococcus granulosus	Protein kinase C brain isozyme	0.0229	0.2698	0.3455
Schistosoma mansoni	diacylglycerol kinase theta	0.0025	0.0056	0.0072
Trypanosoma brucei	Acyl carrier protein, mitochondrial	0.003	0.0122	0.0227
Brugia malayi	p70 ribosomal S6 kinase beta	0.0037	0.021	0.0269
Brugia malayi	FolC bifunctional protein	0.0241	0.2857	0.3659
Leishmania major	acyl carrier protein, putative	0.003	0.0122	0.0227
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0037	0.021	0.021
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0037	0.021	0.0269
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0034	0.018	0.0335
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0238	0.2821	0.5268
Entamoeba histolytica	diacylglycerol kinase, putative	0.0025	0.0056	0.0452
Plasmodium vivax	acyl carrier protein, putative	0.003	0.0122	0.0426
Trypanosoma cruzi	Acyl carrier protein, mitochondrial, putative	0.003	0.0122	0.0227
Schistosoma mansoni	acyl carrier protein	0.003	0.0122	0.0156
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0434	0.5355	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0175	0.2009	0.2572
Brugia malayi	diacylglycerol kinase	0.0025	0.0056	0.0072
Loa Loa (eye worm)	hypothetical protein	0.003	0.0122	0.0156
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	0.0241	0.2857	0.3559
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0229	0.2698	0.2698
Brugia malayi	Hr1 repeat family protein	0.0037	0.021	0.0269
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0116	0.124	0.1589
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F)	0.0434	0.5355	0.6809
Echinococcus multilocularis	N chimaerin	0.0025	0.0056	0.0056
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0116	0.124	0.2316
Giardia lamblia	Hypothetical protein	0.0116	0.124	0.6175
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0434	0.5355	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0238	0.2821	0.9874
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.003	0.0122	0.0156
Brugia malayi	Dihydrofolate reductase	0.0623	0.7809	1
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0025	0.0056	0.0056
Plasmodium falciparum	acyl carrier protein	0.003	0.0122	0.0426
Brugia malayi	dihydrofolate reductase family protein	0.0623	0.7809	1
Trichomonas vaginalis	CMGC family protein kinase	0.0175	0.2009	0.3751
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0175	0.2009	0.3782
Schistosoma mansoni	atypical protein kinase C	0.0062	0.0532	0.0681
Brugia malayi	Pleckstrin Homology Domain	0.0025	0.0056	0.0072
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0238	0.2821	0.5268
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	0.0241	0.2857	0.3559
Schistosoma mansoni	hypothetical protein	0.0164	0.1857	0.2378
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0434	0.5355	1
Brugia malayi	protein kinase C3,putative	0.0027	0.0086	0.0111
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0037	0.021	0.021
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0037	0.021	0.0269
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0175	0.2009	0.3751
Entamoeba histolytica	acyl-CoA synthetase, putative	0.003	0.0122	0.098
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0025	0.0056	0.0056
Toxoplasma gondii	type I fatty acid synthase, putative	0.003	0.0122	0.0229
Echinococcus multilocularis	myotubularin protein 13	0.0025	0.0056	0.0056
Echinococcus multilocularis	dihydrofolate reductase	0.0623	0.7809	0.7809
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0297	0.359	0.4598
Onchocerca volvulus		0.003	0.0122	0.0234
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.1748	0.2116
Brugia malayi	Protein kinase domain containing protein	0.0037	0.021	0.0269
Echinococcus granulosus	NADH dehydrogenase ubiquinone flavoprotein 1	0.0434	0.5355	0.6858
Onchocerca volvulus		0.0231	0.2733	0.9556
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0037	0.021	0.021
Onchocerca volvulus	Fatty acid synthase homolog	0.003	0.0122	0.0234
Toxoplasma gondii	bifunctional protein FolC subfamily protein	0.0241	0.2857	0.5381
Echinococcus multilocularis	chromatin regulatory protein sir2	0.0116	0.124	0.124
Leishmania major	folylpolyglutamate synthetase	0.0241	0.2857	0.5336
Echinococcus multilocularis	unc 13 (munc13)	0.003	0.0123	0.0123
Brugia malayi	Protein kinase c protein 2	0.0194	0.2253	0.2885
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0027	0.0086	0.0111
Brugia malayi	acyl carrier protein, mitochondrial precursor, putative	0.003	0.0122	0.0156
Echinococcus multilocularis	NADH dehydrogenase	0.003	0.0122	0.0122
Echinococcus multilocularis	protein kinase c iota type	0.0062	0.0532	0.0532
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.003	0.0123	0.0123
Schistosoma mansoni	dihydrofolate reductase	0.0623	0.7809	1
Trichomonas vaginalis	CMGC family protein kinase	0.0175	0.2009	0.3751
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0112	0.0112
Schistosoma mansoni	hypothetical protein	0.0297	0.359	0.4598
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	0.0241	0.2857	0.3659
Onchocerca volvulus		0.003	0.0123	0.0239
Echinococcus multilocularis	protein kinase c eta type	0.0025	0.0056	0.0056
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0116	0.124	0.2316
Plasmodium falciparum	importin beta, putative	0.0028	0.0095	0.0334
Brugia malayi	C1-like domain containing protein	0.0027	0.0086	0.0111
Echinococcus granulosus	snurportin 1	0.0297	0.359	0.4598
Loa Loa (eye worm)	hypothetical protein	0.0187	0.2156	0.2761
Giardia lamblia	Kinase, CMGC MAPK	0.0175	0.2009	1
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0623	0.7809	1
Echinococcus granulosus	mitogen activated protein kinase	0.0175	0.2009	0.2572
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0175	0.2009	0.3751
Leishmania major	silent information regulator 2, putative	0.0116	0.124	0.2316
Brugia malayi	diacylglycerol kinase	0.0025	0.0056	0.0072
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0037	0.021	0.021
Brugia malayi	Protein kinase domain containing protein	0.0037	0.021	0.0269
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0025	0.0056	0.0072
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0027	0.0086	0.0111
Mycobacterium ulcerans	hypothetical protein	0.0155	0.1748	0.2116
Entamoeba histolytica	protein kinase, putative	0.0037	0.021	0.1692
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0098	0.0126
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0175	0.2009	0.3751
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.0116	0.124	0.1589
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0037	0.021	0.021
Mycobacterium ulcerans	NADH dehydrogenase I subunit F	0.0434	0.5355	0.6809
Schistosoma mansoni	protein kinase C mu	0.0025	0.0056	0.0072
Mycobacterium ulcerans	membrane protein ComEA	0.0097	0.0987	0.1126
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0272	0.0507
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0056	0.0072
Brugia malayi	Importin beta-1 subunit	0.0028	0.0095	0.0122
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0623	0.7809	1
Schistosoma mansoni	serine/threonine protein kinase	0.0229	0.2698	0.3455
Brugia malayi	Pre-SET motif family protein	0.0029	0.0112	0.0144
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0027	0.0051
Entamoeba histolytica	hypothetical protein	0.0025	0.0056	0.0452
Schistosoma mansoni	folylpolyglutamate synthase	0.0241	0.2857	0.3659
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0025	0.0056	0.0072
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0623	0.7809	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.3558	0.6643
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.003	0.0122	0.0156
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Brugia malayi	Variant SH3 domain containing protein	0.0025	0.0056	0.0072
Schistosoma mansoni	importin beta-1	0.0028	0.0095	0.0122
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.003	0.0122	0.0156
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0238	0.2821	0.5313
Schistosoma mansoni	NADH-ubiquinone oxidoreductase	0.0434	0.5355	0.6858
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0175	0.2009	0.3751
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.3558	0.6643
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0025	0.0056	0.0072
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative	0.0434	0.5355	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.003	0.0122	0.0229
Entamoeba histolytica	protein kinase, putative	0.0037	0.021	0.1692
Trypanosoma brucei	protein kinase, putative	0.0175	0.2009	0.3751
Echinococcus granulosus	protein kinase c iota type	0.0062	0.0532	0.0681
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0272	0.0507
Echinococcus granulosus	Diacylglycerol kinase theta	0.0025	0.0056	0.0072
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0112	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0112	0.0144
Echinococcus granulosus	geminin	0.0164	0.1857	0.2378
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0112	0.0144
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0027	0.0086	0.0111
Echinococcus granulosus	N chimaerin	0.0025	0.0056	0.0072
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0116	0.124	1
Loa Loa (eye worm)	phosphopantetheine attachment site family protein	0.003	0.0122	0.0156
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0389	0.0727
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1834	0.2348
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Onchocerca volvulus	Putative folylpolyglutamate synthase	0.0241	0.2857	1
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.003	0.0122	0.0229
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0238	0.2821	0.5268
Echinococcus granulosus	myotubularin protein 13	0.0025	0.0056	0.0072
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0295	0.3558	0.6643
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0027	0.0051
Brugia malayi	Protein kinase domain containing protein	0.0037	0.021	0.0269
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0175	0.2009	0.2572
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Echinococcus granulosus	Rac GTPase activating protein 1	0.0025	0.0056	0.0072
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	0.0241	0.2857	1
Trypanosoma brucei	folylpolyglutamate synthase, putative	0.0241	0.2857	0.5336
Brugia malayi	RNA, U transporter 1	0.0079	0.0761	0.0975
Brugia malayi	RhoGAP domain containing protein	0.0025	0.0056	0.0072
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0027	0.0086	0.0111
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase I subunit F	0.0434	0.5355	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Leishmania major	mitochondrial DNA polymerase beta	0.0295	0.3558	0.6643
Schistosoma mansoni	protein kinase C mu	0.0027	0.0086	0.0111
Onchocerca volvulus		0.0029	0.0112	0.02
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0027	0.0051
Schistosoma mansoni	hypothetical protein	0.003	0.0122	0.0156
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.003	0.0122	0.0229
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0175	0.2009	0.3751
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0241	0.2857	1
Schistosoma mansoni	serine/threonine protein kinase	0.0037	0.021	0.0269
Echinococcus multilocularis	Acyl carrier protein, mitochondrial	0.003	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Schistosoma mansoni	serine/threonine protein kinase	0.0175	0.2009	0.2572
Schistosoma mansoni	diacylglycerol kinase theta	0.0025	0.0056	0.0072
Echinococcus multilocularis	mitogen activated protein kinase	0.0175	0.2009	0.2009
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0272	0.0507
Schistosoma mansoni	hypothetical protein	0.0164	0.1857	0.2378
Brugia malayi	MAP kinase sur-1	0.0175	0.2009	0.2572
Schistosoma mansoni	chromatin regulatory protein sir2	0.0116	0.124	0.1589
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0112	0.0144
Schistosoma mansoni	serine/threonine protein kinase	0.0037	0.021	0.0269
Onchocerca volvulus	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog	0.0232	0.2747	0.9607
Echinococcus granulosus	NADH dehydrogenase	0.003	0.0122	0.0156
Echinococcus granulosus	chromatin regulatory protein sir2	0.0116	0.124	0.1589
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0238	0.2821	0.9874
Loa Loa (eye worm)	acyl carrier protein	0.003	0.0122	0.0156
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0116	0.124	0.2316
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0097	0.0987	0.1126
Schistosoma mansoni	serine/threonine protein kinase	0.0229	0.2698	0.3455
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	0.0434	0.5355	1
Brugia malayi	RhoGAP domain containing protein	0.0025	0.0056	0.0072
Toxoplasma gondii	cytochrome p450 superfamily protein	0.043	0.5311	1
Schistosoma mansoni	vav2	0.0025	0.0056	0.0072
Brugia malayi	protein kinase C II.	0.0067	0.0599	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Treponema pallidum	nitrogen fixation protein (rnfC)	0.0097	0.0987	0.3163
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	0.0241	0.2857	0.3659
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0037	0.021	0.021
Onchocerca volvulus	Acyl carrier protein, mitochondrial homolog	0.003	0.0122	0.0234
Trichomonas vaginalis	CMGC family protein kinase	0.0175	0.2009	0.3751
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0241	0.2857	0.5336
Plasmodium vivax	SET domain protein, putative	0.0029	0.0112	0.0392
Schistosoma mansoni	serine/threonine protein kinase	0.0027	0.0086	0.0111
Echinococcus granulosus	serine:threonine protein kinase N2	0.0037	0.021	0.0269
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0025	0.0056	0.0056
Schistosoma mansoni	serine/threonine kinase	0.0037	0.021	0.0269
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0037	0.021	0.0269
Echinococcus granulosus	NDR protein kinase	0.0037	0.021	0.0269
Brugia malayi	RhoGEF domain containing protein	0.0025	0.0056	0.0072
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0095	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Echinococcus multilocularis	protein kinase c epsilon type	0.0067	0.0599	0.0599
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0162	0.1834	0.1834
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0037	0.021	0.0269
Brugia malayi	AMP-binding enzyme family protein	0.003	0.0122	0.0156
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0037	0.021	0.0269
Brugia malayi	NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor	0.0434	0.5355	0.6858
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0025	0.0056	0.0056
Loa Loa (eye worm)	transcriptional regulator	0.0116	0.124	0.1589
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Echinococcus granulosus	protein kinase c epsilon type	0.0067	0.0599	0.0767
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0037	0.021	0.0269
Schistosoma mansoni	chromatin regulatory protein sir2	0.0116	0.124	0.1589
Schistosoma mansoni	hypothetical protein	0.0025	0.0056	0.0072
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.0116	0.124	0.124
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0025	0.0056	0.0072
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0112	0.0144
Toxoplasma gondii	acyl carrier protein ACP	0.003	0.0122	0.0229
Entamoeba histolytica	protein kinase, putative	0.0037	0.021	0.1692
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0025	0.0056	0.0072
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0112	0.0112
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0095	0.0095
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0241	0.2857	0.2857
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0037	0.021	0.0269
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0025	0.0056	0.0072
Schistosoma mansoni	serine/threonine protein kinase	0.0027	0.0086	0.0111
Trichomonas vaginalis	CMGC family protein kinase	0.0175	0.2009	0.3751
Loa Loa (eye worm)	raf kinase	0.0025	0.0056	0.0072
Echinococcus granulosus	dihydrofolate reductase	0.0623	0.7809	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.2369	0.3034
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0112	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0037	0.021	0.0269
Echinococcus multilocularis	geminin	0.0164	0.1857	0.1857
Toxoplasma gondii	diacylglycerol kinase, putative	0.0025	0.0056	0.0105
Trypanosoma cruzi	folylpolyglutamate synthase, putative	0.0241	0.2857	0.5336
Brugia malayi	AMP-binding enzyme family protein	0.003	0.0122	0.0156
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0175	0.2009	0.3751
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0027	0.0086	0.0086
Entamoeba histolytica	diacylglycerol kinase, putative	0.0025	0.0056	0.0452
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0037	0.021	0.0392
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0599	0.0767
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0241	0.2857	0.2857
Treponema pallidum	folylpolyglutamate synthetase (folC)	0.0241	0.2857	1
Brugia malayi	Phosphopantetheine attachment site family protein	0.003	0.0122	0.0156
Echinococcus granulosus	protein kinase C gamma type	0.0204	0.2376	0.3043
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0037	0.021	0.0269
Echinococcus multilocularis	RNA directed DNA polymerase	0.0162	0.1834	0.1834
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0025	0.0056	0.0072
Schistosoma mansoni	serine/threonine protein kinase	0.0037	0.021	0.0269
Entamoeba histolytica	protein kinase, putative	0.0037	0.021	0.1692
Loa Loa (eye worm)	acyl carrier protein	0.003	0.0122	0.0156
Echinococcus granulosus	AMP dependent ligase	0.003	0.0122	0.0156
Echinococcus multilocularis	serine threonine protein kinase	0.0204	0.2376	0.2376
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Loa Loa (eye worm)	dihydrofolate reductase	0.0623	0.7809	1
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Trypanosoma cruzi	folylpolyglutamate synthetase	0.0241	0.2857	0.5336
Entamoeba histolytica	acyl-CoA synthetase, putative	0.003	0.0122	0.098
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.1544	0.2882
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0095	0.0178
Chlamydia trachomatis	dihydrofolate reductase	0.0623	0.7809	1
Toxoplasma gondii	AGC kinase	0.0037	0.021	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0095	0.0122
Loa Loa (eye worm)	FolC protein	0.0241	0.2857	0.3659
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0095	0.0178
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	0.0241	0.2857	0.3559
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0095	0.018
Echinococcus granulosus	RNA directed DNA polymerase	0.0162	0.1834	0.2348
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0272	0.0507
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.021	0.0392
Brugia malayi	Ras association domain family 1 isoform A	0.0025	0.0056	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0072
Loa Loa (eye worm)	hypothetical protein	0.003	0.0123	0.0157
Schistosoma mansoni	serine/threonine protein kinase	0.0037	0.021	0.0269
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.003	0.0122	0.0156

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.072 uM	Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells	ChEMBL.	2871191
IC50 (binding)	= 0.072 uM	Inhibition of dihydrofolate reductase(DHFR) enzyme from human leukemic lymphoblasts.	ChEMBL.	2016722
IC50 (binding)	= 0.072 uM	Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells	ChEMBL.	3385730
IC50 (binding)	= 0.072 uM	Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells	ChEMBL.	2871191
IC50 (binding)	= 0.072 uM	Inhibition of dihydrofolate reductase(DHFR) enzyme from human leukemic lymphoblasts.	ChEMBL.	2016722
IC50 (binding)	= 0.072 uM	Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells	ChEMBL.	3385730
IC50 (functional)	= 1.3 uM	Compound was tested for its ability to inhibit growth of L1210 mouse leukemia cells	ChEMBL.	2871191
IC50 (functional)	= 1.3 uM	Inhibitory activity against growth of L1210 murine leukemic cells	ChEMBL.	2016722
IC50 (functional)	= 1.3 uM	Inhibitory concentration against growth of L1210 cell line	ChEMBL.	3385730
IC50 (functional)	= 1.3 uM	Compound was tested for its ability to inhibit growth of L1210 mouse leukemia cells	ChEMBL.	2871191
IC50 (functional)	= 1.3 uM	Inhibitory activity against growth of L1210 murine leukemic cells	ChEMBL.	2016722
IC50 (functional)	= 1.3 uM	Inhibitory concentration against growth of L1210 cell line	ChEMBL.	3385730
IC50 (functional)	= 2.6 uM	Inhibitory activity against growth of WI-L2 murine leukemic cells	ChEMBL.	2016722
IC50 (functional)	= 32 uM	Compound was tested for its ability to inhibit growth of L1210/R81 cells	ChEMBL.	2871191
IC50 (functional)	= 32 uM	Inhibitory concentration against growth of L1210/R81 cell line	ChEMBL.	3385730
IC50 (functional)	= 32 uM	Compound was tested for its ability to inhibit growth of L1210/R81 cells	ChEMBL.	2871191
IC50 (functional)	= 32 uM	Inhibitory concentration against growth of L1210/R81 cell line	ChEMBL.	3385730
Ki (binding)	= 0.15 uM	Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver	ChEMBL.	2871191
Ki (functional)	= 0.15 uM	Inhibition of FPGS from mouse liver in the presence of folic acid	ChEMBL.	3385730
Ki (binding)	= 0.15 uM	Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver	ChEMBL.	2871191

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	2016722

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: CHEMBL280864

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 34529