TDR Targets

Basic information

Technical information

TDR Targets ID: 35110
Name: (2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl )methyl-methylamino]benzoyl]amino]pentanoic a cid
MW: 439.471 | Formula: C20H25N9O3
H donors: 5 H acceptors: 7 LogP: -2.82 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: NCCC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C
InChi: 1S/C20H25N9O3/c1-29(10-12-9-24-17-15(25-12)16(22)27-20(23)28-17)13-6-4-11(5-7-13)18(30)26-14(19(31)32)3-2-8-21/h4-7,9,14H,2-3,8,10,21H2,1H3,(H,26,30)(H,31,32)(H4,22,23,24,27,28)/t14-/m0/s1
InChiKey: XZMFYMLGNMSYOG-AWEZNQCLSA-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

(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanoic acid
(2S)-5-amino-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanoic acid
(2S)-5-azanyl-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanoic acid
(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]valeric acid
ornithine-methotrexate
(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanoic acid
80407-73-4
ADMPO
L-Ornithine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
Nalpha-(4-Amino-4-deoxy-N(10)-methylpteroyl)ornithine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	folylpolyglutamyl synthetase	Starlite/ChEMBL	References
Homo sapiens	folylpolyglutamate synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	folylpolyglutamate synthetase	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
Echinococcus multilocularis	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
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	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
Onchocerca volvulus	Putative folylpolyglutamate synthase	Get druggable targets OG5_126889	All targets in OG5_126889
Leishmania braziliensis	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
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	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	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
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
Plasmodium knowlesi	dihydrofolate synthase/folylpolyglutamate synthase, putative	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
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
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	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
Schistosoma japonicum	Folylpolyglutamate synthase, mitochondrial precursor, putative	Get druggable targets OG5_126889	All targets in OG5_126889
Candida albicans	similar to S. cerevisiae YMR113W	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 berghei	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 mexicana	folylpolyglutamate synthetase	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
Schistosoma japonicum	ko:K01930 folylpolyglutamate synthase [EC6.3.2.17], putative	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
Neospora caninum	hypothetical protein	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
Schistosoma mansoni	folylpolyglutamate synthase	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
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	Get druggable targets OG5_126889	All targets in OG5_126889
Leishmania major	folylpolyglutamate synthetase	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
Leishmania infantum	folylpolyglutamate synthetase	Get druggable targets OG5_126889	All targets in OG5_126889

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

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

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 4 uM	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from rat	ChEMBL.	2898531
Ki (binding)	= 4 uM	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from human	ChEMBL.	2898531
Ki (binding)	= 4 uM	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from rat	ChEMBL.	2898531
Ki (binding)	= 4 uM	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from human	ChEMBL.	2898531
Ki (binding)	= 20 uM	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from mouse liver	ChEMBL.	2898531
Ki (binding)	= 20 uM	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from mouse liver	ChEMBL.	2898531

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

Search by CAS
ChEMBL: CHEMBL28049
PubChem: 133464

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 35110