TDR Targets

Basic information

Technical information

TDR Targets ID: 26187
Name: 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]pyrim idine-2,4-diamine
MW: 412.484 | Formula: C25H24N4O2
H donors: 2 H acceptors: 2 LogP: 4.36 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncc(c(n1)N)Cc1ccc(c(c1)OCc1ccccc1)OCc1ccccc1
InChi: 1S/C25H24N4O2/c26-24-21(15-28-25(27)29-24)13-20-11-12-22(30-16-18-7-3-1-4-8-18)23(14-20)31-17-19-9-5-2-6-10-19/h1-12,14-15H,13,16-17H2,(H4,26,27,28,29)
InChiKey: KYJSISOHUNITEJ-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

5-[(3,4-dibenzyloxyphenyl)methyl]pyrimidine-2,4-diamine
[2-amino-5-(3,4-dibenzoxybenzyl)pyrimidin-4-yl]amine
[2-amino-5-[3,4-bis(benzyloxy)benzyl]pyrimidin-4-yl]amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Onchocerca volvulus		Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania major	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Get druggable targets OG5_127385	All targets in OG5_127385
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium yoelii	thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium ulcerans	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Brugia malayi	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Loa Loa (eye worm)	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	ko:K00560 thymidylate synthase [EC2.1.1.45], putative	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385

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	thymidylate synthase	0.0686	0.1401	0.1401
Mycobacterium tuberculosis	Hypothetical protein	0.0326	0.0643	0.0643
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0025	0.0025
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0022	0.0002	0.0002
Echinococcus granulosus	survival motor neuron protein 1	0.0243	0.0468	0.0468
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0025	0.0025
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0033	0.0025	0.0042
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.0025	0.0042
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0008	0.0013
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0025	0.0025
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0033	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0025	0.0025
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0184	0.0343	0.5332
Loa Loa (eye worm)	transcription factor SMAD2	0.0248	0.0478	0.0478
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0686	0.1401	0.1401
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0025	0.0025
Chlamydia trachomatis	dihydrofolate reductase	0.4767	1	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.0025	0.0039
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0339	0.0669	0.0669
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0034	0.0028	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0105	0.0105
Brugia malayi	ImpB/MucB/SamB family protein	0.0049	0.0059	0.0059
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0313	0.0615	0.0615
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.0025	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0002	0.0002
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.0025	0.0025
Mycobacterium ulcerans	monoamine oxidase	0.0022	0.0002	0.0002
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0033	0.0025	0.0042
Schistosoma mansoni	hypothetical protein	0.0075	0.0113	0.0113
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0105	0.0105
Entamoeba histolytica	hypothetical protein	0.0075	0.0113	0.3296
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0033	0.0025	0.0039
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0033	0.0025	0.0025
Schistosoma mansoni	survival motor neuron protein	0.005	0.006	0.006
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0025	0.0025
Loa Loa (eye worm)	MH2 domain-containing protein	0.0248	0.0478	0.0478
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0686	0.1401	0.1399
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.4767	1	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0313	0.0615	0.0615
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.2775	0.5802	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0243	0.0468	0.0468
Schistosoma mansoni	hypothetical protein	0.0033	0.0025	0.0025
Schistosoma mansoni	amine oxidase	0.0022	0.0002	0.0002
Echinococcus granulosus	GPCR family 2	0.0033	0.0025	0.0025
Brugia malayi	Isocitrate dehydrogenase	0.0033	0.0025	0.0025
Brugia malayi	hypothetical protein	0.0025	0.0008	0.0008
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.0025	0.0039
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0326	0.0643	0.1108
Schistosoma mansoni	hypothetical protein	0.005	0.006	0.006
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0113	0.0113
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.006	0.006
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.0174	0.0174
Echinococcus multilocularis	isocitrate dehydrogenase	0.0033	0.0025	0.0025
Echinococcus multilocularis	thymidylate synthase	0.0686	0.1401	0.1401
Brugia malayi	hypothetical protein	0.0022	0.0002	0.0002
Mycobacterium ulcerans	oxidoreductase	0.0022	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0243	0.0468	0.0468
Brugia malayi	hypothetical protein	0.0075	0.0113	0.0113
Echinococcus multilocularis	dihydrofolate reductase	0.4767	1	1
Leishmania major	UDP-galactopyranose mutase	0.0022	0.0002	0.0003
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0033	0.0025	0.0025
Mycobacterium tuberculosis	Possible oxidoreductase	0.0022	0.0002	0.0002
Entamoeba histolytica	hypothetical protein	0.0075	0.0113	0.3296
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0022	0.0002	0.0002
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0055	0.0055
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0025	0.0025
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0127	0.0223	0.0223
Echinococcus granulosus	zinc finger transcription factor gli2	0.0339	0.0669	0.0669
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.2775	0.5802	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0033	0.0025	0.0025
Mycobacterium ulcerans	dehydrogenase	0.0022	0.0002	0.0002
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0057	0.0075	0.1165
Brugia malayi	Zinc finger, C2H2 type family protein	0.0339	0.0669	0.0669
Brugia malayi	amine oxidase, flavin-containing family protein	0.0022	0.0002	0.0002
Mycobacterium ulcerans	thymidylate synthase	0.0686	0.1401	0.1401
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0184	0.0343	0.0343
Onchocerca volvulus		0.0184	0.0343	0.2438
Brugia malayi	Dihydrofolate reductase	0.4767	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0057	0.0075	0.0129
Leishmania major	DNA polymerase eta, putative	0.0049	0.0059	0.0101
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0008	0.001
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0022	0.0002	0.0002
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.2775	0.5802	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0002	0.0002
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0055	0.0055
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.0025	0.0025
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0055	0.0055
Trichomonas vaginalis	conserved hypothetical protein	0.0326	0.0643	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0022	0.0002	0.0002
Schistosoma mansoni	amine oxidase	0.0022	0.0002	0.0002
Trypanosoma cruzi	hypothetical protein, conserved	0.0057	0.0075	0.0129
Trypanosoma cruzi	DNA polymerase eta, putative	0.0034	0.0028	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0008	0.0008
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0008	0.001
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0033	0.0025	0.0025
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0033	0.0025	0.0039
Trypanosoma brucei	DNA polymerase eta, putative	0.0049	0.0059	0.0101
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0022	0.0002	0.0002
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0113	0.0113
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0022	0.0002	0.0002
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0033	0.0025	0.0025
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0291	0.0568	0.0568
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0055	0.0055
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0057	0.0075	0.0129
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0008	0.001
Schistosoma mansoni	hypothetical protein	0.0033	0.0025	0.0025
Brugia malayi	hypothetical protein	0.0243	0.0468	0.0468
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0002	0.0002
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0184	0.0343	0.0343
Leishmania major	DNA polymerase eta, putative	0.0034	0.0028	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0002	0.0002
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0184	0.0343	1
Entamoeba histolytica	hypothetical protein	0.0075	0.0113	0.3296
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0055	0.0055
Entamoeba histolytica	hypothetical protein	0.0075	0.0113	0.3296
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0184	0.0343	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0055	0.0055
Echinococcus multilocularis	dna polymerase eta	0.0049	0.0059	0.0059
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0057	0.0075	0.1165
Trypanosoma cruzi	DNA polymerase eta, putative	0.0049	0.0059	0.0101
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.2775	0.5802	1
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.4767	1	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0184	0.0343	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0184	0.0343	0.5332
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0002	0.0002
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0033	0.0025	0.0025
Brugia malayi	hypothetical protein	0.0326	0.0643	0.0643
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0055	0.0055
Loa Loa (eye worm)	dihydrofolate reductase	0.4767	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0008	0.0013
Loa Loa (eye worm)	thymidylate synthase	0.0686	0.1401	0.1401
Loa Loa (eye worm)	zinc finger protein	0.0339	0.0669	0.0669
Echinococcus multilocularis		0.0022	0.0002	0.0002
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0184	0.0343	0.5332
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.0025	0.0025
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0022	0.0002	0.0003
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0184	0.0343	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0002	0.0002
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.2775	0.5802	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0025	0.0025
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.0025	0.0042
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0686	0.1401	0.1401
Brugia malayi	isocitrate dehydrogenase	0.0033	0.0025	0.0025
Echinococcus granulosus	dna polymerase eta	0.0049	0.0059	0.0059
Leishmania major	hypothetical protein, conserved	0.0057	0.0075	0.0129
Schistosoma mansoni	dihydrofolate reductase	0.4767	1	1
Schistosoma mansoni	hypothetical protein	0.0071	0.0105	0.0105
Brugia malayi	MH2 domain containing protein	0.0248	0.0478	0.0478
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.0174	0.0174
Brugia malayi	thymidylate synthase	0.0686	0.1401	0.1401
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.4767	1	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0184	0.0343	0.5332
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0022	0.0002	0.0003
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0184	0.0343	0.5332
Schistosoma mansoni	DNA polymerase eta	0.0049	0.0059	0.0059
Brugia malayi	SWIRM domain containing protein	0.0022	0.0002	0.0002
Echinococcus granulosus	dihydrofolate reductase	0.4767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0174	0.0174
Leishmania major	hypothetical protein, conserved	0.0025	0.0008	0.0013
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0055	0.0055
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.2775	0.5802	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0008	0.0013
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0184	0.0343	0.5332
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0113	0.0113
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0008	0.001
Onchocerca volvulus		0.005	0.006	0.0415
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0055	0.0055
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0022	0.0002	0.0002
Onchocerca volvulus		0.0686	0.1401	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	< 0.04 uM	In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR, relative to trimethoprim	ChEMBL.	14711307
IC50 (functional)	< 0.04 uM	In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR, relative to trimethoprim	ChEMBL.	14711307
IC50 (functional)	= 0.06 uM	In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR, relative to trimethoprim	ChEMBL.	14711307
IC50 (functional)	= 0.06 uM	In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR, relative to trimethoprim	ChEMBL.	14711307
IC50 (functional)	= 0.11 uM	In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR, relative to trimethoprim	ChEMBL.	14711307
IC50 (functional)	= 0.11 uM	In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR, relative to trimethoprim	ChEMBL.	14711307
IC50 (functional)	= 0.47 uM	In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR, relative to trimethoprim	ChEMBL.	14711307
IC50 (functional)	= 0.47 uM	In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR, relative to trimethoprim	ChEMBL.	14711307
IC50 (functional)	= 3 uM	Antimicrobial activity against Plasmodium falciparum	ChEMBL.	20185316
IC50 (functional)	= 3.1 uM	In vitro Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with wild-type (TM4/8.2)	ChEMBL.	11881993
IC50 (functional)	= 3.1 uM	In vitro Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with wild-type (TM4/8.2)	ChEMBL.	11881993
IC50 (functional)	= 3.12 uM	In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR	ChEMBL.	14711307
IC50 (functional)	= 3.12 uM	In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR	ChEMBL.	14711307
IC50 (functional)	= 6.75 uM	In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR	ChEMBL.	14711307
IC50 (functional)	= 6.75 uM	In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR	ChEMBL.	14711307
IC50 (functional)	= 8.13 uM	In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR	ChEMBL.	14711307
IC50 (functional)	= 8.13 uM	In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR	ChEMBL.	14711307
IC50 (functional)	= 14.58 uM	In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR	ChEMBL.	14711307
IC50 (functional)	= 14.58 uM	In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR	ChEMBL.	14711307
IC50 (functional)	= 14.6 uM	Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)	ChEMBL.	11881993
IC50 (functional)	= 14.6 uM	Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)	ChEMBL.	11881993
Ki (binding)	= 1.7 nM	Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)	ChEMBL.	14711307
Ki (binding)	= 1.7 nM	Inhibition of the wild-type dihydrofolate reductase (DHFR)	ChEMBL.	11881993
Ki (binding)	= 1.7 nM	Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)	ChEMBL.	14711307
Ki (binding)	= 1.7 nM	Inhibition of the wild-type dihydrofolate reductase (DHFR)	ChEMBL.	11881993
Ki (binding)	= 14.5 nM	Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)	ChEMBL.	11881993
Ki (binding)	= 14.5 nM	Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)	ChEMBL.	11881993
Ki (binding)	= 60.2 nM	Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)	ChEMBL.	14711307
Ki (binding)	= 60.2 nM	Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)	ChEMBL.	11881993
Ki (binding)	= 60.2 nM	Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)	ChEMBL.	14711307
Ki (binding)	= 60.2 nM	Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)	ChEMBL.	11881993
Ki (binding)	= 491.2 nM	Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)	ChEMBL.	14711307
Ki (binding)	= 491.2 nM	Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)	ChEMBL.	14711307
Ki (binding)	= 2454 nM	Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)	ChEMBL.	14711307
Ki (binding)	= 2454 nM	Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)	ChEMBL.	14711307
Ratio (functional)	= 4.7	IC50 ratio of the compound (K1CB1/TM4)	ChEMBL.	11881993
Ratio (binding)	= 8.5	Ratio of Inhibition of the S108N mutant of dihydrofolate reductase (DHFR) to inhibition of wild type dihydrofolate reductase.	ChEMBL.	11881993
Ratio (binding)	= 35.4	Ratio of Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR) to inhibition of wild type dihydrofolate reductase.	ChEMBL.	11881993
Ratio (functional)	= 4.7	IC50 ratio of the compound (K1CB1/TM4)	ChEMBL.	11881993
Ratio (binding)	= 8.5	Ratio of Inhibition of the S108N mutant of dihydrofolate reductase (DHFR) to inhibition of wild type dihydrofolate reductase.	ChEMBL.	11881993
Ratio (binding)	= 35.4	Ratio of Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR) to inhibition of wild type dihydrofolate reductase.	ChEMBL.	11881993
Relative activity (binding)	= 0.09	Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR), relative to trimethoprim	ChEMBL.	14711307
Relative activity (binding)	= 0.1	Inhibition of S108N mutant dihydrofolate reductase (DHFR)relative to Tmp	ChEMBL.	11881993
Relative activity (binding)	= 0.2	Inhibitory activity against double mutant dihydrofolate reductase (C59R S108N DHFR), relative to trimethoprim	ChEMBL.	14711307
Relative activity (binding)	= 0.2	Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR), relative to trimethoprim	ChEMBL.	14711307
Relative activity (binding)	= 0.2	Inhibition of the wild-type dihydrofolate reductase (DHFR) relative to Tmp	ChEMBL.	11881993
Relative activity (binding)	= 0.2	Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)relative to Tmp	ChEMBL.	11881993
Relative activity (binding)	= 0.4	Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR), relative to trimethoprim	ChEMBL.	14711307
Relative activity (binding)	= 0.09	Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR), relative to trimethoprim	ChEMBL.	14711307
Relative activity (binding)	= 0.1	Inhibition of S108N mutant dihydrofolate reductase (DHFR)relative to Tmp	ChEMBL.	11881993
Relative activity (binding)	= 0.2	Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR), relative to trimethoprim	ChEMBL.	14711307
Relative activity (binding)	= 0.2	Inhibitory activity against double mutant dihydrofolate reductase (C59R S108N DHFR), relative to trimethoprim	ChEMBL.	14711307
Relative activity (binding)	= 0.2	Inhibition of the wild-type dihydrofolate reductase (DHFR) relative to Tmp	ChEMBL.	11881993
Relative activity (binding)	= 0.2	Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)relative to Tmp	ChEMBL.	11881993
Relative activity (binding)	= 0.4	Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR), relative to trimethoprim	ChEMBL.	14711307

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	11881993

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: CHEMBL22138
PubChem: 11047913

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 26187