TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 476.38 | Formula: C19H21N6O7P
H donors: 7 H acceptors: 10 LogP: -0.65 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(NC(=O)c1ccc(cc1)NCc1cnc2c(c1)c(O)nc(n2)N)CCP(=O)(O)O
InChi: 1S/C19H21N6O7P/c20-19-24-15-13(17(27)25-19)7-10(9-22-15)8-21-12-3-1-11(2-4-12)16(26)23-14(18(28)29)5-6-33(30,31)32/h1-4,7,9,14,21H,5-6,8H2,(H,23,26)(H,28,29)(H2,30,31,32)(H3,20,22,24,25,27)
InChiKey: OIGOTHHCNXEMSX-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
Mus musculus	folylpolyglutamyl synthetase	Starlite/ChEMBL	References
Homo sapiens	dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to S. cerevisiae YMR113W	Get druggable targets OG5_126889	All targets in OG5_126889
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
Plasmodium berghei	dihydrofolate synthase/folylpolyglutamate synthase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Brugia malayi	Dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Loa Loa (eye worm)	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
Echinococcus granulosus	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 tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Toxoplasma gondii	bifunctional protein FolC subfamily protein	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
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	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
Echinococcus granulosus	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
Schistosoma japonicum	ko:K01930 folylpolyglutamate synthase [EC6.3.2.17], putative	Get druggable targets OG5_126889	All targets in OG5_126889
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
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	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania mexicana	folylpolyglutamate synthetase	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
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
Mycobacterium ulcerans	dihydrofolate reductase DfrA	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
Treponema pallidum	folylpolyglutamate synthetase (folC)	Get druggable targets OG5_126889	All targets in OG5_126889
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
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	Get druggable targets OG5_126889	All targets in OG5_126889
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Trypanosoma brucei	folylpolyglutamate synthase, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Candida albicans	hypothetical protein	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	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
Leishmania major	folylpolyglutamate synthetase	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:K01930 folylpolyglutamate synthase [EC6.3.2.17], 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
Trypanosoma brucei gambiense	folylpolyglutamate-dihydrofolate synthetase, 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
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Plasmodium knowlesi	dihydrofolate synthase/folylpolyglutamate synthase, 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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	hypothetical protein	0.0039	0.0718	0.0704
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0028	0.046	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Schistosoma mansoni	nAChR subunit	0.0155	0.3511	0.3426
Brugia malayi	hypothetical protein	0.0155	0.3511	0.4463
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0079	0.1697	0.6124
Leishmania major	folylpolyglutamate synthetase	0.012	0.2688	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0973	0.0854
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0335	0.7868	0.784
Chlamydia trachomatis	dihydrofolate reductase	0.0208	0.4791	1
Brugia malayi	mbt repeat family protein	0.0049	0.0973	0.1236
Schistosoma mansoni	nAChR subunit	0.0335	0.7868	0.784
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0973	0.097
Onchocerca volvulus		0.0155	0.3511	0.4088
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0335	0.7868	0.7867
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.1456	0.1453
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0973	0.097
Echinococcus multilocularis	tumor protein p63	0.035	0.8223	0.8222
Echinococcus granulosus	tumor protein p63	0.035	0.8223	0.8222
Schistosoma mansoni	neurotransmitter gated ion channel	0.0155	0.3511	0.3426
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1456	0.1343
Echinococcus multilocularis	dihydrofolate reductase	0.0208	0.4791	0.479
Brugia malayi	TAR-binding protein	0.0069	0.1456	0.185
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0335	0.7868	0.7867
Onchocerca volvulus		0.018	0.4138	0.4938
Onchocerca volvulus	Putative folylpolyglutamate synthase	0.012	0.2688	0.2971
Schistosoma mansoni	nAChR subunit	0.0335	0.7868	0.784
Schistosoma mansoni	nAChR subunit	0.0335	0.7868	0.784
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0155	0.3511	0.3509
Trichomonas vaginalis	flap endonuclease-1, putative	0.0028	0.046	0.1288
Trypanosoma brucei	folylpolyglutamate synthase, putative	0.012	0.2688	0.5643
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0155	0.3511	0.4461
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0208	0.4791	1
Onchocerca volvulus	Putative nachr subunit	0.0335	0.7868	1
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0973	0.1233
Brugia malayi	Flap endonuclease-1	0.0028	0.046	0.0584
Trypanosoma brucei	trypanothione reductase	0.0042	0.0789	0.1453
Onchocerca volvulus		0.0335	0.7868	1
Schistosoma mansoni	hypothetical protein	0.0423	1	1
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0028	0.046	0.0727
Brugia malayi	excitatory GABA receptor EXP-1A	0.0335	0.7868	1
Onchocerca volvulus		0.0051	0.1016	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0539	0.0415
Loa Loa (eye worm)	FolC protein	0.012	0.2688	0.3414
Entamoeba histolytica	hypothetical protein	0.0039	0.0718	0.0704
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0079	0.1697	0.3456
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.1109	0.3828
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.1456	0.185
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Echinococcus multilocularis	cpg binding protein	0.0031	0.0539	0.0537
Leishmania major	hypothetical protein, conserved	0.0055	0.1109	0.3828
Loa Loa (eye worm)	flap endonuclease-1	0.0028	0.046	0.0581
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.1109	0.3828
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	0.012	0.2688	1
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Loa Loa (eye worm)	glutathione reductase	0.0042	0.0789	0.0999
Loa Loa (eye worm)	thioredoxin reductase	0.0042	0.0789	0.0999
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0195	0.4477	0.4476
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0028	0.046	0.1288
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0155	0.3511	0.4461
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.018	0.4138	0.406
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.018	0.4138	0.5259
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0155	0.3511	0.3509
Loa Loa (eye worm)	hypothetical protein	0.018	0.4138	0.5257
Plasmodium falciparum	thioredoxin reductase	0.0042	0.0789	0.2575
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0973	0.0854
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0014	0.013	0.5
Echinococcus multilocularis	nAChR subunit	0.018	0.4138	0.4136
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0155	0.3511	0.3509
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.012	0.2688	0.2686
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0079	0.1697	0.6124
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0208	0.4791	1
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.012	0.2688	1
Loa Loa (eye worm)	ACC-1 protein	0.0335	0.7868	1
Loa Loa (eye worm)	MBCTL1	0.0056	0.1138	0.1443
Onchocerca volvulus		0.0049	0.0973	0.0643
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	0.012	0.2688	0.2686
Onchocerca volvulus		0.0335	0.7868	1
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0155	0.3511	0.4463
Brugia malayi	hypothetical protein	0.0155	0.3511	0.4463
Brugia malayi	Thioredoxin reductase	0.0042	0.0789	0.1002
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.018	0.4138	0.5259
Echinococcus granulosus	flap endonuclease 1	0.0028	0.046	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0335	0.7868	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Brugia malayi	hypothetical protein	0.0036	0.0638	0.0811
Loa Loa (eye worm)	hypothetical protein	0.018	0.4138	0.5257
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0095	0.208	0.4183
Loa Loa (eye worm)	hypothetical protein	0.018	0.4138	0.5257
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0335	0.7868	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0055	0.1109	0.3828
Brugia malayi	hypothetical protein	0.0155	0.3511	0.4463
Echinococcus granulosus	tar DNA binding protein	0.0069	0.1456	0.1453
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0335	0.7868	0.7867
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0718	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Treponema pallidum	folylpolyglutamate synthetase (folC)	0.012	0.2688	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0335	0.7868	0.7867
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0335	0.7868	0.7867
Loa Loa (eye worm)	hypothetical protein	0.018	0.4138	0.5257
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.018	0.4138	0.5259
Schistosoma mansoni	cpg binding protein	0.003	0.0498	0.0373
Echinococcus multilocularis	glycine receptor subunit beta	0.0335	0.7868	0.7867
Loa Loa (eye worm)	acetylcholine receptor protein	0.0155	0.3511	0.4461
Trypanosoma cruzi	folylpolyglutamate synthetase	0.012	0.2688	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0335	0.7868	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0335	0.7868	0.7867
Loa Loa (eye worm)	hypothetical protein	0.018	0.4138	0.5257
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0011	0.0037	0.0047
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0335	0.7868	0.7867
Brugia malayi	glutathione reductase	0.0042	0.0789	0.1002
Loa Loa (eye worm)	hypothetical protein	0.018	0.4138	0.5257
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0042	0.0789	0.1413
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0011	0.0037	0.0047
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0335	0.7868	0.784
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0472	0.0597
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0335	0.7868	0.7867
Loa Loa (eye worm)	RNA binding protein	0.0069	0.1456	0.1847
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.1138	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0335	0.7868	0.7867
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0335	0.7868	1
Schistosoma mansoni	flap endonuclease-1	0.0025	0.0394	0.0268
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0973	0.097
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.1016	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	0.012	0.2688	0.5488
Schistosoma mansoni	hypothetical protein	0.03	0.7025	0.6986
Onchocerca volvulus		0.0155	0.3511	0.4088
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	0.012	0.2688	0.2686
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0335	0.7868	1
Loa Loa (eye worm)	GABA receptor subunit	0.018	0.4138	0.5257
Schistosoma mansoni	nAChR subunit	0.0335	0.7868	0.784
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0335	0.7868	0.7867
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.1138	0.1446
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0335	0.7868	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0539	0.0415
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0028	0.046	0.1288
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.1109	0.3828
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1109	0.1407
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0335	0.7868	1
Onchocerca volvulus		0.0155	0.3511	0.4088
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0155	0.3511	0.3509
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.1109	0.3828
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0498	0.063
Plasmodium falciparum	glutathione reductase	0.0042	0.0789	0.2575
Toxoplasma gondii	thioredoxin reductase	0.0042	0.0789	0.2575
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1456	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1016	0.1289
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0335	0.7868	0.7867
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0095	0.208	0.4183
Schistosoma mansoni	nAChR subunit	0.0155	0.3511	0.3426
Brugia malayi	Cation transporter family protein	0.0335	0.7868	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0025	0.0377	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0335	0.7868	1
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0335	0.7868	0.7867
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1138	0.1443
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0335	0.7868	1
Giardia lamblia	Flap structure-specific endonuclease	0.0028	0.046	1
Brugia malayi	hypothetical protein	0.0055	0.1109	0.141
Schistosoma mansoni	nAChR subunit	0.0335	0.7868	0.784
Brugia malayi	CXXC zinc finger family protein	0.003	0.0498	0.0633
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0335	0.7868	1
Schistosoma mansoni	hypothetical protein	0.0202	0.4663	0.4592
Schistosoma mansoni	nAChR subunit	0.0335	0.7868	0.784
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.012	0.2688	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.018	0.4138	0.5259
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0014	0.013	0.0165
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0208	0.4791	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0973	0.0854
Brugia malayi	mbt repeat family protein	0.0049	0.0973	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0335	0.7868	0.7867
Brugia malayi	hypothetical protein	0.0155	0.3511	0.4463
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0014	0.013	0.5
Echinococcus multilocularis	dnaJ subfamily B	0.0423	1	1
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0335	0.7868	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0335	0.7868	1
Onchocerca volvulus		0.0335	0.7868	1
Onchocerca volvulus		0.0335	0.7868	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0025	0.0377	0.0374
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0042	0.0802	0.0799
Loa Loa (eye worm)	dihydrofolate reductase	0.0208	0.4791	0.6088
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0718	0.0716
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0155	0.3511	0.3509
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Schistosoma mansoni	nAChR subunit	0.0335	0.7868	0.784
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0335	0.7868	1
Brugia malayi	FolC bifunctional protein	0.012	0.2688	0.3416
Entamoeba histolytica	hypothetical protein	0.0039	0.0718	0.0704
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0335	0.7868	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0055	0.1109	0.3828
Leishmania major	trypanothione reductase	0.0042	0.0789	0.2575
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0973	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.4138	0.5257
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.018	0.4138	0.406
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0335	0.7868	0.784
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	0.012	0.2688	0.2243
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0335	0.7868	0.7867
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0335	0.7868	0.7867
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0095	0.208	0.4183
Brugia malayi	hypothetical protein	0.0155	0.3511	0.4463
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0335	0.7868	0.784
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.114	0.3949
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0049	0.0973	0.0643
Mycobacterium tuberculosis	Probable oxidoreductase	0.0106	0.2336	0.4733
Loa Loa (eye worm)	hypothetical protein	0.018	0.4138	0.5257
Toxoplasma gondii	bifunctional protein FolC subfamily protein	0.012	0.2688	1
Echinococcus multilocularis	flap endonuclease 1	0.0028	0.046	0.0457
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.1138	0.1135
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0335	0.7868	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0106	0.2336	0.0946
Brugia malayi	Dihydrofolate reductase	0.0208	0.4791	0.6089
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Echinococcus multilocularis	glycine receptor subunit beta	0.0335	0.7868	0.7867
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0335	0.7868	0.784
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1456	0.1343
Loa Loa (eye worm)	LGC-31 protein	0.0335	0.7868	1
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.012	0.2688	0.2686
Schistosoma mansoni	hypothetical protein	0.0039	0.0718	0.0596
Brugia malayi	Cation transporter family protein	0.0335	0.7868	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0335	0.7868	0.7867
Echinococcus granulosus	thioredoxin glutathione reductase	0.0042	0.0802	0.0799
Brugia malayi	RNA binding protein	0.0069	0.1456	0.185
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0335	0.7868	0.7867
Plasmodium vivax	thioredoxin reductase, putative	0.0042	0.0789	0.2575
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0335	0.7868	1
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Onchocerca volvulus		0.0335	0.7868	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0718	0.0716
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0155	0.3511	0.4463
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0335	0.7868	0.7867
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.1138	0.1135
Schistosoma mansoni	acetylcholine receptor-related	0.0155	0.3511	0.3426
Loa Loa (eye worm)	hypothetical protein	0.018	0.4138	0.5257
Loa Loa (eye worm)	hypothetical protein	0.0335	0.7868	1
Plasmodium vivax	glutathione reductase, putative	0.0042	0.0789	0.2575
Loa Loa (eye worm)	ACC-1 protein	0.0335	0.7868	1
Onchocerca volvulus		0.0335	0.7868	1
Echinococcus granulosus	nAChR subunit	0.018	0.4138	0.4136
Schistosoma mansoni	neurotransmitter gated ion channel	0.018	0.4138	0.406
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1456	0.1343
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.1138	0.1135
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0014	0.013	0.0127
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.1138	0.1135
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0106	0.2336	0.4733
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0335	0.7868	0.7867
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0335	0.7868	0.7867
Entamoeba histolytica	hypothetical protein	0.0039	0.0718	0.0704
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1456	0.1343
Echinococcus granulosus	glycine receptor subunit beta	0.0335	0.7868	0.7867
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0014	0.013	0.0127
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.1456	0.1847
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0155	0.3511	0.4463
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0155	0.3511	0.3426
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3511	0.4461
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0335	0.7868	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0155	0.3511	0.3426
Schistosoma mansoni	folylpolyglutamate synthase	0.012	0.2688	0.2592
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0335	0.7868	0.784
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.1303	0.1188
Schistosoma mansoni	dihydrofolate reductase	0.0208	0.4791	0.4722
Mycobacterium tuberculosis	Probable reductase	0.0095	0.208	0.4183
Plasmodium falciparum	flap endonuclease 1	0.0028	0.046	0.1288
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0335	0.7868	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0095	0.208	0.4183
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0472	0.06
Echinococcus granulosus	glycine receptor subunit beta	0.0335	0.7868	0.7867
Trypanosoma cruzi	trypanothione reductase, putative	0.0042	0.0789	0.2575
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0335	0.7868	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0335	0.7868	1
Echinococcus multilocularis	nAChR subunit	0.0335	0.7868	0.7867
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0155	0.3511	0.4463
Trypanosoma brucei	PAB1-binding protein , putative	0.0055	0.1109	0.216
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0079	0.1697	0.6124
Brugia malayi	Cation transporter family protein	0.0335	0.7868	1
Schistosoma mansoni	hypothetical protein	0.0025	0.0377	0.025
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0973	0.097
Onchocerca volvulus		0.018	0.4138	0.4938
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0095	0.208	0.4183
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0335	0.7868	0.7867
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.1456	0.1847
Trypanosoma brucei	RNA helicase, putative	0.0202	0.4663	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0079	0.1697	0.6124
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	0.012	0.2688	0.5488
Echinococcus granulosus	cpg binding protein	0.0031	0.0539	0.0537
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0335	0.7868	1
Plasmodium vivax	flap endonuclease 1, putative	0.0028	0.046	0.1288
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0106	0.2336	0.4733
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0195	0.4477	0.4476
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0335	0.7868	1
Trypanosoma cruzi	folylpolyglutamate synthase, putative	0.012	0.2688	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0155	0.3511	0.4463
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0079	0.1697	0.6124
Echinococcus granulosus	dihydrofolate reductase	0.0208	0.4791	0.479
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0155	0.3511	0.4463
Brugia malayi	dihydrofolate reductase family protein	0.0208	0.4791	0.6089
Brugia malayi	hypothetical protein	0.0039	0.0718	0.0913
Echinococcus granulosus	nAChR subunit	0.0335	0.7868	0.7867
Entamoeba histolytica	hypothetical protein	0.018	0.4138	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.7 uM	Compound was tested in vitro for the inhibition of human dihydrofolate reductase (DHFR)	ChEMBL.	1578484
IC50 (binding)	= 4.7 uM	Compound was tested in vitro for the inhibition of human dihydrofolate reductase (DHFR)	ChEMBL.	1578484
IC50 (binding)	= 300 uM	Compound was tested in vitro for the inhibition of human thymidylate synthase (TS)	ChEMBL.	1578484
IC50 (binding)	= 300 uM	Compound was tested in vitro for the inhibition of human thymidylate synthase (TS)	ChEMBL.	1578484
Ki (binding)	= 9 uM	Compound was tested in vitro for the inhibition of mouse liver Folyl-polyglutamate synthase	ChEMBL.	1578484
Ki (binding)	= 9 uM	Compound was tested in vitro for the inhibition of mouse liver Folyl-polyglutamate synthase	ChEMBL.	1578484

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: CHEMBL40850

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 59358