TDR Targets

Basic information

Technical information

TDR Targets ID: 85337
Name: ethyl 6-[(2,4-diaminopyrimidin-5-yl)methyl]-5 ,8-dimethoxy-1,2,3,4-tetrahydroquinoline-3-ca rboxylate
MW: 387.433 | Formula: C19H25N5O4
H donors: 3 H acceptors: 3 LogP: 1.61 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CNc2c(C1)c(OC)c(cc2OC)Cc1cnc(nc1N)N
InChi: 1S/C19H25N5O4/c1-4-28-18(25)12-6-13-15(22-9-12)14(26-2)7-10(16(13)27-3)5-11-8-23-19(21)24-17(11)20/h7-8,12,22H,4-6,9H2,1-3H3,(H4,20,21,23,24)
InChiKey: OXTWQTKRHYYFRQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

6-[(2,4-diamino-5-pyrimidinyl)methyl]-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid ethyl ester
ethyl 6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline-3-carboxylate
6-[(2,4-diaminopyrimidin-5-yl)methyl]-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid ethyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Neisseria gonorrhoeae	Dihydrofolate reductase	Starlite/ChEMBL	References
Escherichia coli	Dihydrofolate reductase type 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	dihydrofolate reductase	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 tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus multilocularis	dihydrofolate reductase	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
Candida albicans	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
Chlamydia trachomatis	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
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
Brugia malayi	Dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma mansoni	dihydrofolate reductase	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
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	204 aa	33.3 %
Schistosoma mansoni	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	149 aa	28.9 %
Onchocerca volvulus	Germline survival defective-1 homolog	Dihydrofolate reductase	162 aa	171 aa	26.9 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	204 aa	32.8 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	162 aa	177 aa	31.1 %
Echinococcus multilocularis	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	168 aa	25.6 %
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	142 aa	33.8 %
Plasmodium berghei	AP2 domain transcription factor, putative	Dihydrofolate reductase type 1	157 aa	140 aa	23.6 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	181 aa	30.4 %
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	145 aa	31.0 %
Dictyostelium discoideum	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	159 aa	30.2 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	162 aa	182 aa	31.3 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	204 aa	33.3 %
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	142 aa	33.8 %
Onchocerca volvulus	Putative dihydrofolate reductase	Dihydrofolate reductase	162 aa	176 aa	31.8 %
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	204 aa	32.8 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase type 1	157 aa	128 aa	25.0 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	154 aa	37.7 %
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Dihydrofolate reductase type 1	157 aa	148 aa	26.4 %
Echinococcus granulosus	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	171 aa	25.1 %
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Dihydrofolate reductase	162 aa	145 aa	32.4 %
Candida albicans	hypothetical protein	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Candida albicans	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Dihydrofolate reductase type 1	157 aa	159 aa	23.9 %
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	142 aa	31.0 %
Chlamydia trachomatis	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Brugia malayi	dihydrofolate reductase family protein	Dihydrofolate reductase type 1	157 aa	144 aa	26.4 %
Candida albicans	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	162 aa	185 aa	28.6 %
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Dihydrofolate reductase type 1	157 aa	142 aa	29.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0414	0.0684
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0703	0.2146
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0117	0.0205
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0006	0.001	0.0017
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.024	0.024
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0316	0.6282	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.004	0.0703	0.1161
Echinococcus granulosus	ubiquitin specific protease 41	0.004	0.0704	0.0704
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0117	0.0229
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0074	0.0074
Trichomonas vaginalis	set domain proteins, putative	0.0257	0.5085	0.8083
Brugia malayi	hypothetical protein	0.0006	0.0012	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0283	0.0497
Echinococcus multilocularis	lamin	0.0029	0.0485	0.0485
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.2504	0.4402
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0117	0.0117
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0117	0.0205
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0117	0.0205
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0985	0.1732
Loa Loa (eye worm)	hypothetical protein	0.0017	0.024	0.0423
Onchocerca volvulus		0.0033	0.0562	0.1105
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0316	0.6282	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0414	0.0587
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0414	0.0649
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0117	0.0205
Brugia malayi	MH2 domain containing protein	0.0009	0.0074	0.0129
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.064	0.1126
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0262	0.0415
Schistosoma mansoni	coup transcription factor	0.0011	0.0117	0.0205
Giardia lamblia	Fructose-bisphosphate aldolase	0.0316	0.6282	1
Loa Loa (eye worm)	dihydrofolate reductase	0.0287	0.5689	1
Echinococcus multilocularis	Smad4	0.0009	0.0074	0.0074
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.004	0.0704	0.2149
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0414	0.1199
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.1109	0.3475
Brugia malayi	MH2 domain containing protein	0.0009	0.0074	0.0129
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0283	0.0452
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0012	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0117	0.0205
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0562	0.0988
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0048	0.0037
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0117	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0162	0.316	0.5554
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0117	0.0205
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0159	0.31	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0414	0.0587
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0117	0.0205
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0117	0.0205
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0414	0.1199
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0562	0.0988
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.004	0.0704	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0012	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0414	0.0728
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.004	0.0704	0.1237
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.024	0.024
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.0704	0.2149
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0048	0.0016
Schistosoma mansoni	hypothetical protein	0.0017	0.024	0.0423
Brugia malayi	MH1 domain containing protein	0.0009	0.0074	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0283	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0117	0.0205
Schistosoma mansoni	smad	0.0009	0.0074	0.0129
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0985	0.1732
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0008	0.0048	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0012	0.0022
Echinococcus multilocularis	muscleblind protein 1	0.0162	0.316	0.316
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0474	0.0834
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0117	0.0205
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0117	0.0205
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0562	0.0988
Trichomonas vaginalis	inositol monophosphatase, putative	0.004	0.0703	0.1065
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0155	0.3015	0.5261
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.004	0.0703	0.1051
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0117	0.0205
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0316	0.6282	1
Onchocerca volvulus		0.0011	0.0117	0.0229
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0008	0.0048	0.0037
Schistosoma mansoni	hypothetical protein	0.0037	0.064	0.1126
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0117	0.0117
Schistosoma mansoni	Smad4	0.0009	0.0074	0.0129
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.024	0.0423
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0283	0.077
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.024	0.024
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.018	0.018
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0262	0.0415
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.024	0.0423
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.0703	0.1065
Echinococcus granulosus	lamin dm0	0.0029	0.0485	0.0485
Echinococcus granulosus	GPCR family 2	0.0017	0.024	0.024
Echinococcus granulosus	neuropeptide receptor A26	0.05	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0012	0.0022
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0562	0.0562
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0012	0.0022
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.004	0.0704	0.0704
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0076	0.0076
Echinococcus multilocularis	musashi	0.0029	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0162	0.316	0.5554
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0159	0.31	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0117	0.0117
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0562	0.0988
Brugia malayi	ecdysteroid receptor	0.0011	0.0117	0.0205
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0008	0.0048	0.0084
Brugia malayi	Pre-SET motif family protein	0.0226	0.4457	0.7835
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0485	0.0853
Brugia malayi	intermediate filament protein	0.0029	0.0485	0.0853
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0485	0.0853
Echinococcus granulosus	smad	0.0009	0.0074	0.0074
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0703	0.2146
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0074	0.0074
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.004	0.0703	0.5
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.004	0.0704	0.1066
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0074	0.0129
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0524	0.0524
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0036	0.0618	0.1011
Schistosoma mansoni	cpg binding protein	0.0033	0.0559	0.0983
Schistosoma mansoni	acetyl-CoA synthetase	0.0008	0.0048	0.0084
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0117	0.0205
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0283	0.0417
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0414	0.0728
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0117	0.0205
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.004	0.0704	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0283	0.0497
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0316	0.6282	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0226	0.4457	0.7835
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0111	0.0196
Schistosoma mansoni	dihydrofolate reductase	0.0287	0.5689	1
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0283	0.077
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0414	0.0728
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0117	0.0117
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0117	0.0117
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.0704	0.2149
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0316	0.6282	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0117	0.0205
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0985	0.1732
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0008	0.0048	0.0048
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0316	0.6282	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0048	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0169	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0414	0.0728
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0117	0.0117
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0074	0.0129
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0211	0.0372
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0008	0.0048	0.0037
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0562	0.1683
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0414	0.0649
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0076	0.0133
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0287	0.5689	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0048	0.0084
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0117	0.0205
Echinococcus granulosus	lamin	0.0029	0.0485	0.0485
Echinococcus multilocularis	neuropeptide receptor A26	0.05	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0117	0.0205
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0117	0.0117
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0117	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0012	0.0022
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0074	0.0129
Brugia malayi	nuclear hormone receptor	0.0011	0.0117	0.0205
Echinococcus multilocularis	dihydrofolate reductase	0.0287	0.5689	0.5689
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0562	0.0562
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0485	0.0853
Brugia malayi	Muscleblind-like protein	0.0162	0.316	0.5554
Echinococcus granulosus	intermediate filament protein	0.0029	0.0485	0.0485
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0012	0.0012
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0074	0.0129
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0117	0.0229
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0117	0.0205
Brugia malayi	AMP-binding enzyme family protein	0.0008	0.0048	0.0084
Schistosoma mansoni	hypothetical protein	0.0017	0.024	0.0423
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0523	0.092
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0117	0.0205
Echinococcus granulosus	inositol monophosphatase 1	0.004	0.0703	0.0703
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0074	0.0129
Loa Loa (eye worm)	inositol-1	0.004	0.0703	0.1236
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0414	0.0649
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.024	0.024
Onchocerca volvulus		0.0257	0.5085	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0117	0.0205
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0211	0.0372
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0008	0.0048	0.0037
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0117	0.0205
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0117	0.0205
Schistosoma mansoni	hypothetical protein	0.0017	0.024	0.0423
Echinococcus multilocularis	muscleblind protein	0.0162	0.316	0.316
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0523	0.092
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0414	0.0649
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0117	0.0205
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0316	0.6282	1
Loa Loa (eye worm)	Smad1	0.0009	0.0074	0.0129
Onchocerca volvulus		0.0029	0.0485	0.0954
Brugia malayi	Dihydrofolate reductase	0.0287	0.5689	1
Brugia malayi	Pre-SET motif family protein	0.0033	0.0562	0.0988
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0008	0.0048	0.0037
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0048	0.0037
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.31	1
Brugia malayi	AMP-binding enzyme family protein	0.0008	0.0048	0.0084
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.004	0.0704	0.0704
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0117	0.0205
Echinococcus granulosus	dihydrofolate reductase	0.0287	0.5689	0.5689
Brugia malayi	hypothetical protein	0.0006	0.0012	0.0022
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0117	0.0117
Brugia malayi	AMP-binding enzyme family protein	0.0008	0.0048	0.0084
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0012	0.0022
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0117	0.0205
Onchocerca volvulus		0.0026	0.0414	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0117	0.0205
Echinococcus multilocularis	smad	0.0009	0.0074	0.0074
Schistosoma mansoni	inositol monophosphatase	0.004	0.0703	0.1236
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.2504	0.4402
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0414	0.0649
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0117	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0014	0.018	0.0317
Brugia malayi	AMP-binding enzyme family protein	0.0008	0.0048	0.0084
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.0704	0.2149
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0117	0.0117
Chlamydia trachomatis	dihydrofolate reductase	0.0287	0.5689	1
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0117	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0037	0.064	0.1126
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0117	0.0205
Echinococcus multilocularis	neuropeptide s receptor	0.05	1	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.004	0.0703	0.2146
Schistosoma mansoni	lamin	0.0029	0.0485	0.0853
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0703	0.2146
Brugia malayi	MH1 domain containing protein	0.0009	0.0074	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0985	0.1732
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.024	0.0423
Echinococcus multilocularis	inositol monophosphatase 1	0.004	0.0703	0.0703
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0414	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0117	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0562	0.0988
Onchocerca volvulus		0.0008	0.0048	0.0094
Onchocerca volvulus		0.0029	0.0485	0.0954
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0562	0.0562
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0117	0.0229
Echinococcus granulosus	Smad4	0.0009	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.004	0.0704	0.1237
Onchocerca volvulus		0.0031	0.0523	0.1029
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0117	0.0205
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0114	0.02
Loa Loa (eye worm)	oxidoreductase	0.0008	0.0048	0.0084
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0316	0.6282	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0036	0.0618	0.1045
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0012	0.0022
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0414	0.0649
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0414	0.0649
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.018	0.018
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0076	0.0076
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0414	0.0587
Echinococcus multilocularis	GPCR, family 2	0.0017	0.024	0.024
Onchocerca volvulus		0.0008	0.0048	0.0094
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0074	0.0129
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0117	0.0205
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0117	0.0205
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0703	0.2146
Schistosoma mansoni	cpg binding protein	0.0033	0.0559	0.0983
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0117	0.0205
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.0703	0.1065
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0155	0.3015	0.5261
Brugia malayi	MH2 domain containing protein	0.0129	0.2504	0.4402
Treponema pallidum	fructose-bisphosphate aldolase	0.0316	0.6282	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0117	0.0117
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0076	0.0076
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0074	0.0074
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0262	0.0415
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0074	0.0074
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0287	0.5689	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0159	0.31	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0114	0.0114
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0008	0.0048	0.0037
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0414	0.0684
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.004	0.0704	0.0704
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0704	0.1066
Echinococcus multilocularis	cpg binding protein	0.0033	0.0559	0.0559
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0008	0.0048	0.0084
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0117	0.0205
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0316	0.6282	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0117	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0283	0.0497
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0155	0.3015	0.5279
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0287	0.5689	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0316	0.6282	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0117	0.0205
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0485	0.0853
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0414	0.0728
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.004	0.0704	0.1066
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0117	0.0205
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0262	0.0415
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0117	0.0205
Brugia malayi	steroid hormone receptor	0.0011	0.0117	0.0205
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0012	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0117	0.0205
Echinococcus granulosus	muscleblind protein	0.0162	0.316	0.316
Onchocerca volvulus		0.0012	0.0132	0.026
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0169	0.0298
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0008	0.0048	0.0048
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0117	0.0117
Plasmodium vivax	SET domain protein, putative	0.0033	0.0562	0.1683
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0117	0.0205
Brugia malayi	dihydrofolate reductase family protein	0.0287	0.5689	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0117	0.0205
Brugia malayi	Inositol-1	0.004	0.0703	0.1236
Schistosoma mansoni	inositol monophosphatase	0.004	0.0703	0.1236
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0117	0.0205
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0414	0.1199
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0008	0.0048	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0012	0.0022
Schistosoma mansoni	cpg binding protein	0.0031	0.0523	0.092
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0117	0.0117
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.1251	0.2199
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0485	0.0853
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0114	0.0114
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.31	1
Schistosoma mansoni	lamin	0.0029	0.0485	0.0853
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0008	0.0048	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0048	0.0084
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0117	0.0205
Schistosoma mansoni	hypothetical protein	0.0017	0.024	0.0423
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0159	0.31	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0283	0.0497
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0048	0.0016
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0076	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0117	0.0205
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0414	0.0728
Echinococcus multilocularis	lamin dm0	0.0029	0.0485	0.0485
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0008	0.0048	0.0084
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0117	0.0117
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0117	0.0117
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.004	0.0704	0.0704
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0414	0.0649
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0117	0.0117
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0414	0.0649
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0117	0.0117
Echinococcus granulosus	cpg binding protein	0.0033	0.0559	0.0559
Brugia malayi	Smad1	0.0009	0.0074	0.0129
Brugia malayi	nuclear receptor RXR	0.0006	0.0012	0.0022
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.004	0.0704	0.1237
Echinococcus multilocularis	ubiquitin specific protease 41	0.004	0.0704	0.0704
Onchocerca volvulus		0.0008	0.0048	0.0094
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0048	0.0037
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0012	0.0012

Activities

Activity type	Activity value	Assay description	Source	Reference
I50 (binding)	= 2200000000 M	Inhibitory activity to dihydrofolate reductase in Escherichia coli	ChEMBL.	2502632
I50 (binding)	= 19000000000 M	Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae	ChEMBL.	2502632
I50 (binding)	= 1420000000000 M	Inhibitory activity against dihydrofolate reductase in rat liver	ChEMBL.	2502632
IC50 (binding)	= 0.00000022 M	Inhibitory activity to dihydrofolate reductase in Escherichia coli	ChEMBL.	2502632
IC50 (binding)	= 0.0000019 M	Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae	ChEMBL.	2502632
IC50 (binding)	= 0.000142 M	Inhibitory activity against dihydrofolate reductase in rat liver	ChEMBL.	2502632

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: CHEMBL292621
PubChem: 23323072

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 85337