TDR Targets

Basic information

Technical information

TDR Targets ID: 81777
Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-metho xyphenol
MW: 246.265 | Formula: C12H14N4O2
H donors: 3 H acceptors: 3 LogP: 1.04 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1O)Cc1cnc(nc1N)N
InChi: 1S/C12H14N4O2/c1-18-10-3-2-7(5-9(10)17)4-8-6-15-12(14)16-11(8)13/h2-3,5-6,17H,4H2,1H3,(H4,13,14,15,16)
InChiKey: GDSADCTVCUIMDE-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-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenol
5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxyphenol
5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Salmonella enterica subsp. enterica serovar Typhi	Dihydrofolate reductase	Starlite/ChEMBL	References
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Curated by TDR Targets	References
Lactobacillus casei	Dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Chlamydia trachomatis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	hypothetical protein	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
Leishmania major	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 braziliensis	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	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
Plasmodium falciparum	bifunctional 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 yoelii	thymidylate synthase, putative	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
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	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
Brugia malayi	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania donovani	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
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Onchocerca volvulus		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
Echinococcus granulosus	thymidylate synthase	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
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Get druggable targets OG5_127385	All targets in OG5_127385
Brugia malayi	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
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
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 mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	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
Trypanosoma cruzi	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
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium ulcerans	dihydrofolate reductase DfrA	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
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
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium ulcerans	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	159 aa	173 aa	30.6 %
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	159 aa	140 aa	31.4 %
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	159 aa	173 aa	28.9 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	159 aa	173 aa	28.9 %
Plasmodium yoelii	thymidylate synthase, putative	Dihydrofolate reductase	163 aa	139 aa	21.6 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	159 aa	173 aa	28.9 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	163 aa	138 aa	29.7 %
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	159 aa	173 aa	28.9 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	163 aa	133 aa	27.1 %
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	159 aa	130 aa	30.8 %
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	159 aa	160 aa	30.6 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	159 aa	173 aa	28.9 %
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Dihydrofolate reductase	159 aa	173 aa	31.8 %
Onchocerca volvulus	Putative dihydrofolate reductase	Dihydrofolate reductase	163 aa	173 aa	27.2 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	159 aa	203 aa	28.6 %
Onchocerca volvulus	Germline survival defective-1 homolog	Dihydrofolate reductase	159 aa	166 aa	26.5 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	159 aa	195 aa	22.6 %
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	159 aa	131 aa	29.0 %
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	159 aa	130 aa	30.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0143	0.1699	0.2452
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0158	0.1919	0.1817
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0124	0.0194
Loa Loa (eye worm)	doublecortin family protein	0.0042	0.025	0.0392
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0158	0.1919	0.1817
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0468	0.6386	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0285	0.0163
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0619	0.1539
Schistosoma mansoni	gliotactin	0.0037	0.0176	0.0052
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0124	0.0194
Brugia malayi	TAR-binding protein	0.0202	0.2548	0.3989
Echinococcus granulosus	acetylcholinesterase	0.0218	0.2785	0.2694
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	0.3849	1
Schistosoma mansoni	lipoxygenase	0.011	0.1234	0.1124
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0186	0.2324	0.2227
Schistosoma mansoni	hypothetical protein	0.0072	0.0681	0.0564
Echinococcus multilocularis	neuroligin	0.0037	0.0176	0.0052
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1004	0.2546
Echinococcus multilocularis	dihydrofolate reductase	0.0468	0.6386	0.6341
Loa Loa (eye worm)	hypothetical protein	0.0218	0.2785	0.4361
Brugia malayi	Carboxylesterase family protein	0.0037	0.0176	0.0275
Toxoplasma gondii	NAC domain-containing protein	0.0035	0.0156	0.0252
Echinococcus granulosus	BC026374 protein S09 family	0.0037	0.0176	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0176	0.0275
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0285	0.0163
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3849	1
Loa Loa (eye worm)	RNA binding protein	0.0202	0.2548	0.3989
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0619	0.0501
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0153	0.1855	0.1753
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0046	0.0314	0.0601
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2548	0.2454
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0619	0.1539
Onchocerca volvulus		0.0037	0.0176	0.0525
Loa Loa (eye worm)	hypothetical protein	0.003	0.0073	0.0115
Echinococcus multilocularis	microtubule associated protein 2	0.0719	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1004	0.2546
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0037	0.0176	0.0052
Loa Loa (eye worm)	ICD-1 protein	0.0035	0.0156	0.0244
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0468	0.6386	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0037	0.0176	0.0052
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0062	0.0534	0.1089
Plasmodium falciparum	LCCL domain-containing protein	0.0042	0.025	0.046
Entamoeba histolytica	hypothetical protein	0.0072	0.0681	0.1421
Brugia malayi	hypothetical protein	0.0042	0.025	0.0392
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.006	0.0514	0.0544
Echinococcus multilocularis	thymidylate synthase	0.013	0.1514	0.1407
Onchocerca volvulus		0.0037	0.0176	0.0525
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.025	0.0128
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	0.3849	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3849	1
Brugia malayi	hypothetical protein	0.0042	0.025	0.0392
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1004	0.2546
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.006	0.0514	0.0395
Echinococcus granulosus	carboxylesterase 5A	0.0218	0.2785	0.2694
Schistosoma mansoni	loxhd1	0.0042	0.025	0.0128
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0046	0.0314	0.0601
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2548	0.2454
Onchocerca volvulus		0.0037	0.0176	0.0525
Onchocerca volvulus		0.0037	0.0176	0.0525
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0506	0.0531
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0037	0.0176	0.0052
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0285	0.0446
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0094	0.1004	0.0891
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0341	0.4562	1
Echinococcus granulosus	thymidylate synthase	0.013	0.1514	0.1407
Brugia malayi	hypothetical protein	0.0062	0.0534	0.0836
Schistosoma mansoni	acetylcholinesterase	0.0037	0.0176	0.0052
Echinococcus granulosus	tar DNA binding protein	0.0202	0.2548	0.2454
Echinococcus multilocularis	Polycystic kidney disease protein	0.0042	0.025	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0165	0.2025	0.3171
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0046	0.0314	0.0601
Giardia lamblia	Fructose-bisphosphate aldolase	0.0292	0.3849	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0341	0.4562	1
Brugia malayi	hypothetical protein	0.0165	0.2025	0.3171
Schistosoma mansoni	polycystin 1-related	0.0042	0.025	0.0128
Schistosoma mansoni	rab6-interacting	0.0042	0.025	0.0128
Echinococcus multilocularis	neuropeptide receptor A26	0.0469	0.6401	0.6356
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0506	0.1025
Loa Loa (eye worm)	acetyltransferase	0.0158	0.1919	0.3005
Loa Loa (eye worm)	acetylcholinesterase 1	0.0218	0.2785	0.4361
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0176	0.0275
Onchocerca volvulus		0.0037	0.0176	0.0525
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2548	0.2454
Giardia lamblia	Kinase, PLK	0.0094	0.1004	0.2077
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0318	0.0749
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0285	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1159	0.1814
Loa Loa (eye worm)	TAR-binding protein	0.0202	0.2548	0.3989
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0094	0.1004	0.2296
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0156	0.0325
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.025	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1435	0.2247
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3849	1
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0156	0.0325
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.006	0.0514	0.1043
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0143	0.1699	0.0379
Brugia malayi	RNA binding protein	0.0202	0.2548	0.3989
Schistosoma mansoni	BC026374 protein (S09 family)	0.0037	0.0176	0.0052
Schistosoma mansoni	chromobox protein	0.0068	0.0619	0.0501
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0468	0.6386	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0037	0.0176	0.0377
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0124	0.0194
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0156	0.0325
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1004	0.2546
Loa Loa (eye worm)	hypothetical protein	0.0218	0.2785	0.4361
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0506	0.0386
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.006	0.0514	0.0395
Echinococcus multilocularis	para nitrobenzyl esterase	0.0037	0.0176	0.0052
Trypanosoma brucei	transcription factor BTF3, putative	0.0035	0.0156	0.0252
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0037	0.0176	0.0052
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0191	0.0604
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.0534	0.1316
Schistosoma mansoni	transcription factor btf3	0.0035	0.0156	0.0032
Plasmodium vivax	basic transcription factor 3b, putative	0.0035	0.0156	0.0252
Echinococcus granulosus	geminin	0.0543	0.7462	0.743
Echinococcus granulosus	RUN	0.0042	0.025	0.0128
Brugia malayi	MH2 domain containing protein	0.0255	0.3317	0.5194
Entamoeba histolytica	hypothetical protein	0.0072	0.0681	0.1421
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1435	0.2247
Schistosoma mansoni	chromobox protein	0.0068	0.0619	0.0501
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0218	0.2785	0.2694
Brugia malayi	Dihydrofolate reductase	0.0468	0.6386	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3849	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0046	0.0314	0.0739
Loa Loa (eye worm)	thymidylate synthase	0.013	0.1514	0.2371
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0285	0.0163
Brugia malayi	Carboxylesterase family protein	0.0218	0.2785	0.4361
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0176	0.0275
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0037	0.0176	0.0377
Brugia malayi	RNA recognition motif domain containing protein	0.0202	0.2548	0.3989
Trypanosoma brucei	polo-like protein kinase	0.0094	0.1004	0.2127
Brugia malayi	thymidylate synthase	0.013	0.1514	0.2371
Echinococcus granulosus	neuropeptide s receptor	0.0469	0.6401	0.6356
Loa Loa (eye worm)	carboxylesterase	0.0037	0.0176	0.0275
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3849	1
Brugia malayi	chromobox protein homolog 3	0.0038	0.0191	0.0299
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1004	0.2546
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.1004	0.2127
Echinococcus granulosus	para nitrobenzyl esterase	0.0037	0.0176	0.0052
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0202	0.2548	0.3989
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0506	0.0531
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.006	0.0514	0.0804
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0186	0.2324	0.2227
Loa Loa (eye worm)	hypothetical protein	0.0042	0.025	0.0392
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0233	0.0526
Echinococcus granulosus	dihydrofolate reductase	0.0468	0.6386	0.6341
Echinococcus multilocularis	neuropeptide s receptor	0.0469	0.6401	0.6356
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0191	0.0418
Leishmania major	basic transcription factor 3a, putative	0.0035	0.0156	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0176	0.0275
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0681	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0042	0.025	0.0392
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.006	0.0514	0.0544
Brugia malayi	serine/threonine-protein kinase plk-2	0.0094	0.1004	0.1572
Echinococcus multilocularis	acetylcholinesterase	0.0218	0.2785	0.2694
Brugia malayi	hypothetical protein	0.0028	0.0042	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0176	0.0275
Mycobacterium ulcerans	thymidylate synthase	0.013	0.1514	0.2155
Brugia malayi	Carboxylesterase family protein	0.0037	0.0176	0.0275
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0094	0.1004	0.0891
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0046	0.0314	0.0739
Plasmodium vivax	multidomain scavenger receptor, putative	0.0042	0.025	0.046
Echinococcus multilocularis	geminin	0.0543	0.7462	0.743
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0285	0.0163
Brugia malayi	Doublecortin family protein	0.0042	0.025	0.0392
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0037	0.0176	0.0052
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0506	0.0386
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.1159	0.1814
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3849	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0176	0.0275
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.006	0.0514	0.0544
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0285	0.0163
Brugia malayi	beta-NAC-like protein	0.0035	0.0156	0.0244
Echinococcus multilocularis	RUN	0.0042	0.025	0.0128
Onchocerca volvulus	Huntingtin homolog	0.0124	0.1435	0.6976
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0681	0.0564
Schistosoma mansoni	hypothetical protein	0.0543	0.7462	0.743
Entamoeba histolytica	hypothetical protein	0.0072	0.0681	0.1421
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0285	0.0446
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.1159	0.1814
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0094	0.1004	0.4766
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2548	0.2454
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2548	0.2454
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.068	0.1064
Echinococcus granulosus	neuropeptide receptor A26	0.0469	0.6401	0.6356
Chlamydia trachomatis	dihydrofolate reductase	0.0468	0.6386	0.5
Echinococcus multilocularis	transcription factor btf3	0.0035	0.0156	0.0032
Onchocerca volvulus		0.013	0.1514	0.738
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0341	0.4562	1
Brugia malayi	dihydrofolate reductase family protein	0.0468	0.6386	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.025	0.0128
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0233	0.0817
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0191	0.0299
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.025	0.0128
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0506	0.0386
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.1159	0.1814
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0191	0.0418
Mycobacterium tuberculosis	Hypothetical protein	0.0062	0.0534	0.0577
Brugia malayi	Carboxylesterase family protein	0.0037	0.0176	0.0275
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0619	0.0501
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0233	0.0526
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0341	0.4562	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0124	0.0194
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0285	0.0163
Schistosoma mansoni	microtubule-associated protein tau	0.0719	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1004	0.2546
Onchocerca volvulus	Huntingtin homolog	0.0124	0.1435	0.6976
Entamoeba histolytica	hypothetical protein	0.0072	0.0681	0.1421
Treponema pallidum	fructose-bisphosphate aldolase	0.0292	0.3849	0.5
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0258	0.0277
Schistosoma mansoni	hypothetical protein	0.0042	0.025	0.0128
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0037	0.0176	0.0052
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0506	0.0531
Schistosoma mansoni	hypothetical protein	0.0543	0.7462	0.743
Brugia malayi	acetyltransferase, GNAT family protein	0.0158	0.1919	0.3005
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0506	0.0531
Onchocerca volvulus		0.0042	0.025	0.0907
Schistosoma mansoni	lipoxygenase	0.0186	0.2324	0.2227
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.0403	0.0632
Loa Loa (eye worm)	carboxylesterase	0.0218	0.2785	0.4361
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0506	0.0386
Echinococcus multilocularis	tar DNA binding protein	0.0202	0.2548	0.2454
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0619	0.097
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3849	1
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0506	0.1025
Schistosoma mansoni	rab6-interacting	0.0042	0.025	0.0128
Loa Loa (eye worm)	dihydrofolate reductase	0.0468	0.6386	1
Echinococcus multilocularis	carboxylesterase 5A	0.0218	0.2785	0.2694
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0341	0.4562	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0094	0.1004	0.2127
Brugia malayi	hypothetical protein	0.0072	0.0681	0.1066
Echinococcus granulosus	acetylcholinesterase	0.0218	0.2785	0.2694
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.1514	0.2155
Loa Loa (eye worm)	transcription factor SMAD2	0.0255	0.3317	0.5194
Loa Loa (eye worm)	hypothetical protein	0.0072	0.068	0.1064
Loa Loa (eye worm)	carboxylesterase	0.0037	0.0176	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0042	0.0066
Plasmodium falciparum	basic transcription factor 3b, putative	0.0035	0.0156	0.0252
Onchocerca volvulus		0.0042	0.025	0.0907
Echinococcus granulosus	chromobox protein 1	0.0068	0.0619	0.0501
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.1514	0.1407
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0037	0.0176	0.0052
Brugia malayi	Carboxylesterase family protein	0.0037	0.0176	0.0275
Brugia malayi	hypothetical protein	0.0124	0.1435	0.2247
Brugia malayi	hypothetical protein	0.0037	0.0176	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0176	0.0275
Plasmodium falciparum	histone acetyltransferase GCN5	0.0043	0.0258	0.0478
Echinococcus granulosus	neuroligin	0.0037	0.0176	0.0052
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0318	0.0749
Echinococcus multilocularis	acetylcholinesterase	0.0218	0.2785	0.2694
Brugia malayi	Heterochromatin protein 1	0.0068	0.0619	0.097
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0094	0.1004	0.1572
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.1004	0.0891
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1004	0.2546
Schistosoma mansoni	kinase	0.0048	0.0336	0.0214
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.006	0.0514	0.0395
Echinococcus granulosus	transcription factor btf3	0.0035	0.0156	0.0032
Echinococcus granulosus	Polycystic kidney disease protein	0.0042	0.025	0.0128
Echinococcus granulosus	chromobox protein 1	0.0068	0.0619	0.0501
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0143	0.1699	0.2452
Schistosoma mansoni	dihydrofolate reductase	0.0468	0.6386	0.6341
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.1004	0.2127
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0156	0.0252
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0156	0.0252
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0341	0.4562	1
Brugia malayi	Carboxylesterase family protein	0.0218	0.2785	0.4361
Loa Loa (eye worm)	MH2 domain-containing protein	0.0255	0.3317	0.5194
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0681	0.0564
Schistosoma mansoni	hypothetical protein	0.0072	0.068	0.0563
Onchocerca volvulus		0.0165	0.2025	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0046	0.0314	0.0192
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3849	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 6.84	Inhibitory activity against dihydrofolate reductase	ChEMBL.	11495588
Activity (binding)	= 6.84	Activity against dihydrofolate reductase of Escherichia coli strain MB 1428	ChEMBL.	1507206
Ki (binding)	= 3.85	Inhibitory activity against chicken liver dihydrofolate reductase	ChEMBL.	2502631
Ki (binding)	= 6.59	Inhibitory activity against Lactobacillus casei dihydrofolate reductase	ChEMBL.	2502631
Ki (binding)	= 6.84	Inhibitory activity against E. coli dihydrofolate reductase	ChEMBL.	1899453
Log (binding)	= 6.84 1/Ki	Inhibitory activity against E. coli dihydrofolate reductase	ChEMBL.	1899453
Log 1/Ki (binding)	= 3.85	Inhibitory activity against chicken liver dihydrofolate reductase	ChEMBL.	2502631
Log 1/Ki (binding)	= 6.59	Inhibitory activity against Lactobacillus casei dihydrofolate reductase	ChEMBL.	2502631
logD (ADMET)	= 0.74	Partition coefficient (logD) (0.01 N NaOH)	ChEMBL.	2502631

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL301089
PubChem: 15571587

Bibliographic References

4 literature references were collected for this gene.

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Detailed information for compound 81777