TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 467.478 | Formula: C22H25N7O5
H donors: 5 H acceptors: 9 LogP: 1.01 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@H](c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N
InChi: 1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15-/m0/s1
InChiKey: FSIRXIHZBIXHKT-NHYWBVRUSA-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	dihydrofolate reductase	Starlite/ChEMBL	References
Lactobacillus casei	Dihydrofolate reductase	Starlite/ChEMBL	References
Gallus gallus	Dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	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
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Chlamydia trachomatis	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
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	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
Candida albicans	hypothetical protein	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Get druggable targets OG5_128410	All targets in OG5_128410

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	154 aa	33.8 %
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	34.3 %
Plasmodium yoelii	thymidylate synthase, putative	Dihydrofolate reductase	163 aa	139 aa	21.6 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	33.1 %
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	209 aa	28.2 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	34.3 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	185 aa	35.7 %
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	209 aa	28.7 %
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	34.3 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	33.7 %
Onchocerca volvulus	Putative dihydrofolate reductase	Dihydrofolate reductase	163 aa	173 aa	27.2 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	189 aa	180 aa	34.4 %
Echinococcus multilocularis	EF hand calcium binding domain containing protein	Dihydrofolate reductase	189 aa	155 aa	22.6 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	189 aa	189 aa	31.7 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	201 aa	29.4 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	194 aa	31.4 %
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	212 aa	29.2 %
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
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.0574	0.0562
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0174	0.184	0.1923
Trichomonas vaginalis	glucosylceramidase, putative	0.0566	0.6427	0.6846
Schistosoma mansoni	glutamate receptor kainate	0.0115	0.1146	0.1192
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0099	0.0958	0.0946
Brugia malayi	Latrophilin receptor protein 2	0.0066	0.0574	0.0603
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0108	0.02
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0059	0.0498	0.0507
Entamoeba histolytica	hypothetical protein	0.0059	0.0498	1
Echinococcus granulosus	neuropeptide receptor A26	0.045	0.5072	0.5322
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0075	0.0677	0.0695
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0317	0.3519	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.6088	0.6485
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0175	0.1852	0.1935
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0099	0.0958	0.0994
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0498	0.0507
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.6088	0.6485
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0036	0.022	0.0218
Loa Loa (eye worm)	glutamate receptor	0.0037	0.0235	0.0231
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.0289	0.0291
Brugia malayi	hypothetical protein	0.0042	0.0289	0.0304
Loa Loa (eye worm)	glutamate receptor	0.0144	0.1493	0.1554
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0075	0.0677	0.0695
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0111	0.1104	0.3064
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0107	0.1052	0.1093
Schistosoma mansoni	metabotropic glutamate receptor	0.0129	0.1314	0.1369
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.0289	0.0277
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.0289	0.0277
Echinococcus granulosus	receptor type guanylyl cyclase	0.0059	0.0498	0.0511
Echinococcus granulosus	nmda type glutamate receptor	0.0351	0.3915	0.4105
Trichomonas vaginalis	inositol monophosphatase, putative	0.004	0.0268	0.0273
Onchocerca volvulus		0.0059	0.049	0.0346
Schistosoma mansoni	hypothetical protein	0.0099	0.0958	0.0994
Brugia malayi	Glutamate receptor 2 precursor	0.0115	0.1146	0.1204
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0099	0.0958	0.0994
Schistosoma mansoni	hypothetical protein	0.0396	0.4438	0.4655
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0174	0.184	0.1923
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0317	0.3519	1
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0253	0.2761	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.6088	0.6485
Schistosoma mansoni	ap endonuclease	0.002	0.0038	0.0027
Brugia malayi	hypothetical protein	0.0059	0.0498	0.0524
Echinococcus granulosus	GPCR family 2	0.0066	0.0574	0.059
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0092	0.0097
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0268	0.0661
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0108	0.02
Schistosoma mansoni	tyrosine kinase	0.0059	0.0498	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0498	0.0507
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0492	0.0504
Schistosoma mansoni	loxhd1	0.0042	0.0289	0.0291
Brugia malayi	Dihydrofolate reductase	0.083	0.9519	1
Brugia malayi	Receptor family ligand binding region containing protein	0.0059	0.0498	0.0524
Echinococcus multilocularis	glutamate receptor 2	0.0174	0.184	0.183
Brugia malayi	metabotropic glutamate receptor type 2	0.0096	0.093	0.0977
Echinococcus multilocularis	neuropeptide s receptor	0.045	0.5072	0.5066
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.0574	0.0562
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0208	0.2237	0.235
Brugia malayi	Receptor family ligand binding region containing protein	0.0075	0.0677	0.0711
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0492	0.0504
Schistosoma mansoni	cpg binding protein	0.0062	0.0529	0.0544
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0819	0.9382	0.9856
Echinococcus multilocularis	survival motor neuron protein 1	0.0498	0.5629	0.5623
Trypanosoma cruzi	extracellular receptor, putative	0.0059	0.0498	0.1323
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0038	0.0027
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0175	0.1852	0.1945
Brugia malayi	Cytochrome P450 family protein	0.0056	0.0462	0.0485
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0317	0.3519	1
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0049	0.038	0.0982
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0049	0.038	0.0386
Echinococcus multilocularis	RUN	0.0042	0.0289	0.0277
Echinococcus multilocularis	cpg binding protein	0.0062	0.0529	0.0517
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.6088	0.6485
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0049	0.038	0.0386
Trichomonas vaginalis	glucosylceramidase, putative	0.0819	0.9382	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0492	0.1303
Trypanosoma brucei	cytochrome P450, putative	0.0025	0.0092	0.0155
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.6088	0.6485
Schistosoma mansoni	glutamate receptor NMDA	0.0115	0.1146	0.1192
Brugia malayi	latrophilin 2 splice variant baaae	0.0142	0.1467	0.1541
Chlamydia trachomatis	dihydrofolate reductase	0.083	0.9519	1
Schistosoma mansoni	glutamate receptor kainate	0.0115	0.1146	0.1192
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.0574	0.0603
Schistosoma mansoni	polycystin 1-related	0.0042	0.0289	0.0291
Mycobacterium leprae	conserved hypothetical protein	0.0049	0.038	0.0386
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0049	0.038	0.0982
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.0574	0.059
Leishmania major	extracellular receptor, putative	0.0059	0.0498	0.1323
Echinococcus multilocularis	glutamate receptor 2	0.0115	0.1146	0.1135
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0129	0.1314	0.1369
Loa Loa (eye worm)	cytochrome P450 family protein	0.0056	0.0462	0.0469
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0099	0.0958	0.0994
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.083	0.9519	1
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0085	0.0798	0.0838
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0208	0.2237	0.2337
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0677	0.0695
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0108	0.02
Trichomonas vaginalis	glucosylceramidase, putative	0.0819	0.9382	1
Schistosoma mansoni	dihydrofolate reductase	0.083	0.9519	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0144	0.1493	0.1568
Loa Loa (eye worm)	glutamate receptor 1	0.0115	0.1146	0.1189
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0253	0.2761	0.2891
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0059	0.0498	0.036
Onchocerca volvulus		0.0102	0.0992	0.1211
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0049	0.038	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0492	0.0504
Brugia malayi	dihydrofolate reductase family protein	0.083	0.9519	1
Echinococcus multilocularis	nmda type glutamate receptor	0.0351	0.3915	0.3907
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0025	0.0092	0.0083
Schistosoma mansoni	rab6-interacting	0.0042	0.0289	0.0291
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0166	0.1746	0.1736
Echinococcus granulosus	RUN	0.0042	0.0289	0.0291
Loa Loa (eye worm)	inositol-1	0.004	0.0268	0.0265
Echinococcus multilocularis	nmda type glutamate receptor	0.0059	0.0498	0.0486
Trypanosoma cruzi	cytochrome P450, putative	0.0025	0.0092	0.0155
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0059	0.0498	0.0486
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0038	0.0025
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0049	0.038	0.0386
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.004	0.0268	0.5
Schistosoma mansoni	hypothetical protein	0.0519	0.5877	0.6169
Onchocerca volvulus		0.0059	0.0498	0.036
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0115	0.1146	0.1135
Schistosoma mansoni	inositol monophosphatase	0.004	0.0268	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0498	0.0507
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0248	0.2709	0.2836
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0038	0.0027
Schistosoma mansoni	cpg binding protein	0.0062	0.0529	0.0544
Schistosoma mansoni	hypothetical protein	0.0102	0.0992	0.103
Schistosoma mansoni	glutamate receptor kainate	0.0115	0.1146	0.1192
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0059	0.049	0.0499
Echinococcus granulosus	nmda type glutamate receptor	0.0059	0.0498	0.0511
Schistosoma mansoni	metabotropic glutamate receptor	0.0096	0.093	0.0965
Schistosoma mansoni	survival motor neuron protein	0.0102	0.0992	0.103
Echinococcus granulosus	L aminoadipate semialdehyde	0.0175	0.1852	0.1935
Leishmania major	phosphopantetheinyl transferase-like protein	0.0049	0.038	0.0982
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0059	0.0498	0.0511
Trichomonas vaginalis	glucosylceramidase, putative	0.0819	0.9382	1
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.083	0.9519	1
Brugia malayi	hypothetical protein	0.0042	0.0289	0.0304
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0036	0.022	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0289	0.0288
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0059	0.0498	0.0507
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0174	0.184	0.183
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0038	0.0027
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.004	0.0268	0.696
Chlamydia trachomatis	glutamine binding protein	0.0253	0.2761	0.2605
Brugia malayi	CXXC zinc finger family protein	0.0059	0.049	0.0515
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0092	0.0097
Echinococcus granulosus	inositol monophosphatase 1	0.004	0.0268	0.0269
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0819	0.9382	0.9855
Echinococcus granulosus	survival motor neuron protein 1	0.0498	0.5629	0.5908
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1467	0.1527
Echinococcus granulosus	dihydrofolate reductase	0.083	0.9519	1
Echinococcus multilocularis	inositol monophosphatase 1	0.004	0.0268	0.0256
Echinococcus multilocularis	geminin	0.0519	0.5877	0.5872
Entamoeba histolytica	hypothetical protein	0.0049	0.038	0.7424
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0115	0.1146	0.1192
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0208	0.2237	0.235
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0108	0.02
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0108	0.02
Schistosoma mansoni	hypothetical protein	0.0066	0.0574	0.059
Trypanosoma brucei	hypothetical protein, conserved	0.0049	0.038	0.0982
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.083	0.9519	1
Onchocerca volvulus		0.0059	0.0498	0.036
Trypanosoma cruzi	cytochrome P450, putative	0.0025	0.0092	0.0155
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0038	0.5
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.004	0.0268	0.0269
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.0268	0.0273
Schistosoma mansoni	hypothetical protein	0.0066	0.0574	0.059
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0129	0.1314	0.1304
Echinococcus granulosus	dnaJ subfamily B	0.0396	0.4438	0.4655
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0013	0.0014
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0049	0.038	0.0982
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0099	0.0958	0.0946
Echinococcus granulosus	neuropeptide s receptor	0.045	0.5072	0.5322
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0038	0.0027
Schistosoma mansoni	hypothetical protein	0.0142	0.1467	0.153
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0174	0.184	0.183
Onchocerca volvulus		0.0175	0.1852	0.2694
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0108	0.02
Echinococcus multilocularis	tyrosine kinase	0.0059	0.0498	0.0486
Onchocerca volvulus	Glucosylceramidase homolog	0.0537	0.6088	1
Brugia malayi	Doublecortin family protein	0.0042	0.0289	0.0304
Echinococcus multilocularis	glutamate receptor 2	0.0075	0.0687	0.0675
Schistosoma mansoni	ATP-binding cassette transporter	0.0115	0.1146	0.1192
Schistosoma mansoni	protein kinase	0.0059	0.0498	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0208	0.2237	0.2337
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0108	0.02
Loa Loa (eye worm)	glutamate receptor 2	0.0115	0.1146	0.1189
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0038	0.004
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0492	0.0504
Plasmodium falciparum	LCCL domain-containing protein	0.0042	0.0289	0.0722
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0092	0.008
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0317	0.3519	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0108	0.0096
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0102	0.0992	0.1042
Schistosoma mansoni	hypothetical protein	0.0066	0.0574	0.059
Trichomonas vaginalis	glucosylceramidase, putative	0.0819	0.9382	1
Echinococcus multilocularis	dihydrofolate reductase	0.083	0.9519	0.9519
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0059	0.0498	0.0486
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0492	0.0504
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0174	0.184	0.1923
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0059	0.0498	0.0507
Echinococcus granulosus	geminin	0.0519	0.5877	0.6169
Echinococcus granulosus	glutamate receptor 2	0.0174	0.184	0.1923
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.6088	0.6485
Schistosoma mansoni	tyrosine kinase	0.0059	0.0498	0.0511
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0174	0.184	0.183
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0253	0.2761	0.2891
Echinococcus granulosus	Polycystic kidney disease protein	0.0042	0.0289	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0498	0.0507
Schistosoma mansoni	glutamate receptor AMPA	0.0115	0.1146	0.1192
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0038	0.0027
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0268	0.0661
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0038	0.0023
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0351	0.3915	0.3907
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0253	0.2761	0.2605
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0498	0.0507
Echinococcus multilocularis	Polycystic kidney disease protein	0.0042	0.0289	0.0277
Schistosoma mansoni	rab6-interacting	0.0042	0.0289	0.0291
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0018	0.0016	0.0004
Schistosoma mansoni	hypothetical protein	0.0519	0.5877	0.6169
Schistosoma mansoni	glutamate receptor AMPA	0.0115	0.1146	0.1192
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0049	0.038	0.0982
Schistosoma mansoni	cpg binding protein	0.0059	0.049	0.0502
Echinococcus multilocularis	dnaJ subfamily B	0.0396	0.4438	0.4431
Echinococcus granulosus	cpg binding protein	0.0062	0.0529	0.0544
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0038	0.0691
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.0574	0.059
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0166	0.1746	0.1824
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.004	0.0268	0.0661
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0492	0.0504
Schistosoma mansoni	lipoxygenase	0.0248	0.2709	0.2836
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0268	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0498	0.0507
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0492	0.0504
Brugia malayi	Glutamate receptor 1 precursor	0.0115	0.1146	0.1204
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.6088	0.6485
Loa Loa (eye worm)	dihydrofolate reductase	0.083	0.9519	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0092	0.008
Brugia malayi	Inositol-1	0.004	0.0268	0.0282
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0099	0.0958	0.0946
Leishmania major	hypothetical protein, conserved	0.0026	0.0108	0.02
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0253	0.2761	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0574	0.059
Schistosoma mansoni	hypothetical protein	0.0042	0.0289	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1746	0.182
Brugia malayi	Guanylyl cyclase protein 23	0.0059	0.0498	0.0524
Plasmodium vivax	multidomain scavenger receptor, putative	0.0042	0.0289	0.0722
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0492	0.048
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0038	0.0092
Schistosoma mansoni	ap endonuclease	0.002	0.0038	0.0027
Echinococcus multilocularis	neuropeptide receptor A26	0.045	0.5072	0.5066
Trichomonas vaginalis	glucosylceramidase, putative	0.0566	0.6427	0.6846
Echinococcus multilocularis	GPCR, family 2	0.0066	0.0574	0.0562
Schistosoma mansoni	inositol monophosphatase	0.004	0.0268	0.0269
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0049	0.038	0.1336
Echinococcus granulosus	glutamate receptor 2	0.0075	0.0687	0.0709
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0059	0.0498	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0289	0.0288
Brugia malayi	hypothetical protein	0.0026	0.0108	0.0113
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0268	0.0661
Echinococcus multilocularis	NMDA receptor	0.0099	0.0958	0.0946
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.0289	0.0291
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0099	0.0958	0.0994
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0317	0.3519	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0819	0.9382	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0248	0.2709	0.27
Brugia malayi	hypothetical protein	0.0498	0.5629	0.5913
Schistosoma mansoni	lipoxygenase	0.0174	0.1835	0.1917
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0059	0.0498	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0574	0.0587
Loa Loa (eye worm)	doublecortin family protein	0.0042	0.0289	0.0288
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0492	0.1303
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0018	0.0016	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0498	0.0507
Echinococcus granulosus	tyrosine kinase	0.0059	0.0498	0.0511
Trichomonas vaginalis	glucosylceramidase, putative	0.0819	0.9382	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0174	0.184	0.1923
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.0574	0.0587
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0174	0.184	0.183
Schistosoma mansoni	glutamate receptor NMDA	0.0174	0.184	0.1923
Loa Loa (eye worm)	CYP4Cod1	0.0025	0.0092	0.008
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0317	0.3519	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0175	0.1852	0.1842
Loa Loa (eye worm)	hypothetical protein	0.0498	0.5629	0.5906
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1852	0.1932
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0124	0.126	0.1312
Leishmania major	cytochrome p450-like protein	0.0025	0.0092	0.0155
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.0268	0.0273

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 22 nM	Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver	ChEMBL.	3712374
IC50 (binding)	= 38 nM	Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469	ChEMBL.	3712374
ILS (functional)	= 138 %	Compound was evaluated for antitumor activity against L1210 leukemia in mice after subcutaneous administration (Q2Dx5) at a dose 12 mg/kg	ChEMBL.	3712374
ILS (functional)	= 163 %	Antitumor activity against L1210 leukemia in mice after subcutaneous administration (Q2Dx5) at a dose 24 mg/kg out of 9 mice tested	ChEMBL.	3712374
ILS (functional)	= 181 %	Compound was evaluated for antitumor activity against L1210 leukemia in mice after subcutaneous administration (Q2Dx5) at a dose 32 mg/kg	ChEMBL.	3712374
ILS (functional)	= 187 %	Compound was evaluated for antitumor activity against L1210 leukemia in mice after subcutaneous administration (Q2Dx5) at a dose 18 mg/kg	ChEMBL.	3712374
k (functional)	= 0.249 min-1	Compound was evaluated for transport properties against L1210 cells for efflux	ChEMBL.	3712374
Ki (binding)	= 12.4 pM	Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells	ChEMBL.	3712374
Ki (functional)	= 1.62 uM	Compound was evaluated for transport properties against L1210 cells for influx	ChEMBL.	3712374
MIC50 (functional)	= 1.52 nM	Compound was evaluated for growth inhibition and minimal inhibitory concentration was reported against L1210 cells.	ChEMBL.	3712374
MST (functional)	= 15.7 day	Compound was evaluated for antitumor activity against L1210 leukemia in mice after subcutaneous administration (Q2Dx5) at a dose 9 mg/kg	ChEMBL.	3712374
MST (functional)	= 17.3 day	Compound was evaluated for antitumor activity against L1210 leukemia in mice after subcutaneous administration (Q2Dx5) at a dose 18 mg/kg	ChEMBL.	3712374
MST (functional)	= 18.8 day	Compound was evaluated for antitumor activity against L1210 leukemia in mice after subcutaneous administration (Q2Dx5) at 32 mg/kg	ChEMBL.	3712374
MST (functional)	= 19 day	Compound was evaluated for antitumor activity against L1210 leukemia in mice after subcutaneous administration (Q2Dx5) at 24 mg/kg	ChEMBL.	3712374

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	3712374

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.

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External resources for this compound

ChEMBL: CHEMBL2051990

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1667610