TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 296.367 | Formula: C17H20N4O
H donors: 2 H acceptors: 2 LogP: 3.11 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C=CCc1cc(ccc1OCC=C)Cc1cnc(nc1N)N
InChi: 1S/C17H20N4O/c1-3-5-13-9-12(6-7-15(13)22-8-4-2)10-14-11-20-17(19)21-16(14)18/h3-4,6-7,9,11H,1-2,5,8,10H2,(H4,18,19,20,21)
InChiKey: DOWNVWLVOGCOPA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	Dihydrofolate reductase	Starlite/ChEMBL	References
Rattus norvegicus	Dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
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
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
Candida albicans	dihydrofolate reductase	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	hypothetical protein	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Trypanosoma cruzi	ATP- dependent RNA helicase, putative	Dihydrofolate reductase	157 aa	140 aa	22.9 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	34.3 %
Schistosoma mansoni	dihydrofolate reductase	Dihydrofolate reductase	157 aa	147 aa	28.6 %
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Dihydrofolate reductase	157 aa	160 aa	29.4 %
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	210 aa	30.0 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	187 aa	191 aa	31.9 %
Cryptosporidium hominis	GDP-mannose pyrophosphorylase (4N40)	Dihydrofolate reductase	157 aa	139 aa	28.1 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	186 aa	37.1 %
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	Dihydrofolate reductase	157 aa	159 aa	21.4 %
Candida albicans	dihydrofolate reductase	Dihydrofolate reductase	157 aa	149 aa	29.5 %
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Dihydrofolate reductase	157 aa	158 aa	29.1 %
Candida albicans	hypothetical protein	Dihydrofolate reductase	157 aa	149 aa	29.5 %
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	Dihydrofolate reductase	157 aa	127 aa	19.7 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Plasmodium yoelii	thymidylate synthase, putative	Dihydrofolate reductase	187 aa	212 aa	27.8 %
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Dihydrofolate reductase	187 aa	182 aa	34.1 %
Leishmania donovani	serine carboxypeptidase (CBP1), putative	Dihydrofolate reductase	157 aa	159 aa	23.3 %
Cryptosporidium parvum	mannose-1-phosphate guanylyltransferase	Dihydrofolate reductase	157 aa	139 aa	27.3 %
Plasmodium vivax	hypothetical protein, conserved	Dihydrofolate reductase	157 aa	127 aa	26.8 %
Onchocerca volvulus	Putative dihydrofolate reductase	Dihydrofolate reductase	157 aa	178 aa	23.6 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	202 aa	29.2 %
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	209 aa	29.2 %
Onchocerca volvulus	Germline survival defective-1 homolog	Dihydrofolate reductase	157 aa	165 aa	24.8 %
Plasmodium yoelii	hypothetical protein	Dihydrofolate reductase	157 aa	132 aa	24.2 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	33.7 %
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	209 aa	29.2 %
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Dihydrofolate reductase	157 aa	159 aa	28.3 %
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	157 aa	137 aa	29.2 %
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Chlamydia trachomatis	dihydrofolate reductase	Dihydrofolate reductase	157 aa	133 aa	24.8 %
Dictyostelium discoideum	dihydrofolate reductase	Dihydrofolate reductase	157 aa	146 aa	27.4 %
Candida albicans	dihydrofolate reductase	Dihydrofolate reductase	157 aa	149 aa	29.5 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	193 aa	32.1 %
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	182 aa	33.5 %
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	210 aa	30.0 %
Leishmania infantum	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	Dihydrofolate reductase	157 aa	159 aa	23.3 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	187 aa	187 aa	35.8 %
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	211 aa	28.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0011	0.0025
Echinococcus granulosus	geminin	0.0183	0.1093	0.2483
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0018	0.0053	0.0053
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0039	0.0088
Trypanosoma brucei	aminopeptidase, putative	0.0038	0.0177	0.1566
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0251	0.0571
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0514	0.1168
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0053	0.0122
Schistosoma mansoni	hypothetical protein	0.0016	0.0039	0.0088
Toxoplasma gondii	aminopeptidase N, putative	0.0038	0.0177	0.0937
Schistosoma mansoni	ap endonuclease	0.0038	0.0181	0.0412
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0514	0.1168
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0402
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.007	0.0381	0.1289
Schistosoma mansoni	hypothetical protein	0.002	0.0069	0.0157
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0039	0.0039
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0038	0.0181	0.0711
Echinococcus granulosus	tumor protein p63	0.0662	0.4107	0.9329
Trypanosoma brucei	hypothetical protein, conserved	0.007	0.0381	0.3818
Mycobacterium leprae	Probable lipase LipE	0.007	0.0381	0.1895
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0402
Echinococcus granulosus	microtubule associated protein 2	0.0683	0.4239	0.9629
Brugia malayi	dihydrofolate reductase family protein	0.0287	0.1747	0.8771
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0018	0.0053	0.0053
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0381	0.0865
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0181	0.2968
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0514	0.0514
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0018	0.0053	0.0122
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.0177	0.1566
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0047	0.0106
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0038	0.0177	0.0937
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0038	0.0177	0.1566
Echinococcus multilocularis	dihydrofolate reductase	0.0287	0.1747	0.1747
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.007	0.0381	0.0865
Brugia malayi	Bromodomain containing protein	0.0038	0.0179	0.09
Loa Loa (eye worm)	TATA binding protein associated factor	0.0038	0.0177	0.0402
Leishmania major	hypothetical protein, conserved	0.0025	0.0098	0.0693
Echinococcus multilocularis	FTZ F1 alpha	0.0018	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.007	0.0381	0.0865
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.0177	0.0889
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0038	0.0177	0.1566
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0177	0.0402
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.007	0.0381	0.1289
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0181	0.0985
Plasmodium vivax	hypothetical protein, conserved	0.007	0.0381	0.3357
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0018	0.0053	0.0122
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0177
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0177
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0018	0.0053	0.0269
Mycobacterium tuberculosis	Possible two component sensor kinase TcrY	0.0019	0.0061	0.0118
Loa Loa (eye worm)	beta-lactamase	0.007	0.0381	0.0865
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0018	0.0053	0.0122
Schistosoma mansoni	hypothetical protein	0.0034	0.0153	0.0347
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0159	0.094	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0675	0.1533
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0069	0.0157
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0402
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0019	0.0061	0.0118
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0038	0.0181	0.0412
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0038	0.0177	0.2826
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0381	0.3818
Onchocerca volvulus		0.007	0.0381	0.3208
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0047	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0018	0.0053	0.0269
Brugia malayi	beta-lactamase family protein	0.007	0.0381	0.1912
Brugia malayi	beta-lactamase family protein	0.007	0.0381	0.1912
Onchocerca volvulus		0.0097	0.055	0.4868
Mycobacterium tuberculosis	Probable lipase LipE	0.007	0.0381	0.1289
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0053	0.0122
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0709	0.4402	0.4402
Schistosoma mansoni	ap endonuclease	0.0038	0.0181	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0053	0.0122
Loa Loa (eye worm)	hypothetical protein	0.007	0.0381	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0098	0.0223
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0018	0.0053	0.0269
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0514	0.1168
Brugia malayi	steroid hormone receptor	0.0018	0.0053	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0053	0.0122
Loa Loa (eye worm)	hypothetical protein	0.018	0.1073	0.2438
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0238	0.0541
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0018	0.0053	0.0053
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0039	0.0194
Mycobacterium tuberculosis	Conserved protein	0.007	0.0381	0.1289
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0039	0.0088
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0018	0.0053	0.0053
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.094	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0238	0.0541
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0159	0.094	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0098	0.0693
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0279	0.0634
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.018	0.1073	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0018	0.0053	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0039	0.0088
Brugia malayi	mbt repeat family protein	0.0047	0.0238	0.1195
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0238	0.0541
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0018	0.0053	0.0053
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0238	0.0541
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.007	0.0381	0.1289
Toxoplasma gondii	ABC1 family protein	0.007	0.0381	0.3357
Schistosoma mansoni	thyroid hormone receptor	0.0018	0.0053	0.0122
Mycobacterium tuberculosis	Probable esterase LipL	0.007	0.0381	0.1289
Loa Loa (eye worm)	steroid hormone receptor	0.0018	0.0053	0.0122
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.0177	0.1566
Trypanosoma brucei	Aminopeptidase M1, putative	0.0038	0.0177	0.1566
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0038	0.0177	0.0937
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0038	0.0177	0.1566
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0038	0.0181	0.0181
Onchocerca volvulus		0.0038	0.0177	0.1213
Onchocerca volvulus		0.007	0.0381	0.3208
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0238	0.0541
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0709	0.4402	1
Trypanosoma brucei	Aminopeptidase M1, putative	0.0038	0.0177	0.1566
Schistosoma mansoni	thyroid hormone receptor	0.0018	0.0053	0.0122
Brugia malayi	beta-lactamase	0.007	0.0381	0.1912
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0038	0.0177	0.0177
Mycobacterium tuberculosis	Probable lipase LipD	0.007	0.0381	0.1289
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0038	0.0181	0.161
Brugia malayi	hypothetical protein	0.0326	0.1992	1
Echinococcus multilocularis	geminin	0.0183	0.1093	0.1093
Schistosoma mansoni	cpg binding protein	0.0032	0.0141	0.0321
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0038	0.0177	0.2826
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0194	0.1163	0.2641
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0177
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0038	0.0177	0.0402
Schistosoma mansoni	microtubule-associated protein tau	0.0683	0.4239	0.9629
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0153	0.0347
Echinococcus multilocularis	beta LACTamase domain containing family member	0.007	0.0381	0.0381
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0038	0.0177	0.0402
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0514	0.0514
Echinococcus granulosus	dihydrofolate reductase	0.0287	0.1747	0.3968
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.0053	0.0269
Schistosoma mansoni	retinoic acid receptor RXR	0.0018	0.0053	0.0122
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0038	0.0177	0.1566
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0053	0.0122
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.007	0.0381	0.0865
Loa Loa (eye worm)	hypothetical protein	0.007	0.0381	0.0865
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0018	0.0053	0.0269
Schistosoma mansoni	nuclear hormone receptor	0.0018	0.0053	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0038	0.018	0.0408
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0038	0.0181	1
Echinococcus granulosus	FTZ F1 alpha	0.0018	0.0053	0.0122
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0038	0.0181	0.161
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0287	0.1747	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0279	0.0634
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0251	0.1263
Onchocerca volvulus		0.0047	0.0238	0.1809
Brugia malayi	N-terminal motif family protein	0.018	0.1073	0.5389
Schistosoma mansoni	hypothetical protein	0.0016	0.0039	0.0088
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0018	0.0053	0.0122
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0181	0.0985
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0025	0.0097	0.2974
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0402
Schistosoma mansoni	zinc finger protein	0.0021	0.0073	0.0165
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0018	0.0053	0.0122
Mycobacterium ulcerans	aminopeptidase N PepN	0.0038	0.0177	0.0687
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0018	0.0053	0.0122
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0294	0.2324
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0238	0.1809
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0018	0.0053	0.0122
Schistosoma mansoni	dihydrofolate reductase	0.0287	0.1747	0.3968
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0018	0.0053	0.0122
Echinococcus granulosus	zinc finger protein	0.0021	0.0073	0.0165
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0038	0.0177	0.0402
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0251	0.0571
Mycobacterium tuberculosis	Probable sensor protein KdpD	0.0019	0.0061	0.0118
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0709	0.4402	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0018	0.0053	0.0122
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0091	0.0091
Echinococcus multilocularis	aminopeptidase N	0.0038	0.0177	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0018	0.0053	0.0269
Mycobacterium ulcerans	aminopeptidase N PepN	0.0038	0.0177	0.0687
Schistosoma mansoni	hypothetical protein	0.0183	0.1093	0.2483
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0053	0.0122
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0018	0.0053	0.0122
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0153	0.0768
Onchocerca volvulus		0.0038	0.0177	0.1213
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.094	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0279	0.0634
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0018	0.0053	0.0122
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0177
Loa Loa (eye worm)	MBCTL1	0.0054	0.0279	0.0634
Mycobacterium tuberculosis	Possible two component system response sensor kinase membrane associated PhoR	0.0019	0.0061	0.0118
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0381	0.0865
Echinococcus granulosus	ecdysone induced protein 78C	0.0018	0.0053	0.0122
Leishmania major	hypothetical protein, conserved	0.007	0.0381	0.3818
Loa Loa (eye worm)	hypothetical protein	0.004	0.0195	0.0442
Schistosoma mansoni	cpg binding protein	0.0028	0.0119	0.027
Schistosoma mansoni	hypothetical protein	0.0015	0.0036	0.0081
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0194	0.1163	0.1163
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0039	0.0194
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0402
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0018	0.0053	0.0122
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0047	0.0047
Echinococcus multilocularis	cpg binding protein	0.0032	0.0141	0.0141
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0051	0.0115
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0018	0.0053	0.0122
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0038	0.0177	0.2826
Trypanosoma cruzi	aminopeptidase, putative	0.0038	0.0177	0.1566
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0038	0.0177	0.0402
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0287	0.1747	1
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0238	0.0541
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0018	0.0053	0.0122
Chlamydia trachomatis	dihydrofolate reductase	0.0287	0.1747	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.032	0.0726
Brugia malayi	nuclear hormone receptor	0.0018	0.0053	0.0269
Brugia malayi	photoreceptor-specific nuclear receptor	0.0018	0.0053	0.0269
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0675	0.1533
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0018	0.0053	0.0269
Mycobacterium ulcerans	hypothetical protein	0.007	0.0381	0.1895
Loa Loa (eye worm)	hypothetical protein	0.007	0.0382	0.0867
Brugia malayi	hypothetical protein	0.0038	0.0177	0.0889
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0709	0.4402	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0165	0.0374
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0381	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.007	0.0381	0.0865
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0514	0.1168
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.0177	0.0889
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0038	0.0177	0.0402
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0038	0.0177	0.1566
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0018	0.0053	0.0122
Mycobacterium tuberculosis	Probable hydrolase	0.007	0.0381	0.1289
Schistosoma mansoni	zinc finger protein	0.0015	0.0036	0.0081
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0098	0.0693
Loa Loa (eye worm)	dihydrofolate reductase	0.0287	0.1747	0.3968
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0038	0.0181	0.0412
Toxoplasma gondii	exonuclease III APE	0.0038	0.0181	0.0985
Mycobacterium ulcerans	esterase/lipase LipP	0.007	0.0381	0.1895
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.005	0.0115
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0238	0.0541
Schistosoma mansoni	bromodomain containing protein	0.0064	0.0346	0.0785
Brugia malayi	hypothetical protein	0.0038	0.0177	0.0889
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0018	0.0051	0.0051
Mycobacterium ulcerans	lipase LipD	0.007	0.0381	0.1895
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0279	0.0279
Mycobacterium tuberculosis	Two component sensor histidine kinase TrcS	0.0019	0.0061	0.0118
Brugia malayi	mbt repeat family protein	0.0047	0.0238	0.1195
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0018	0.0053	0.0269
Mycobacterium tuberculosis	Conserved protein	0.007	0.0381	0.1289
Brugia malayi	Bromodomain containing protein	0.0076	0.0419	0.2102
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0038	0.0181	0.0557
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0381	1
Echinococcus multilocularis	zinc finger protein	0.0021	0.0073	0.0073
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0119	0.0597
Mycobacterium tuberculosis	Conserved protein	0.007	0.0381	0.1289
Loa Loa (eye worm)	hypothetical protein	0.007	0.0381	0.0865
Trichomonas vaginalis	esterase, putative	0.007	0.0381	1
Echinococcus granulosus	cpg binding protein	0.0032	0.0141	0.0321
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0514	0.1168
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.0514	0.1168
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0447	0.2755	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0018	0.0053	0.0122
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0018	0.0053	0.0053
Toxoplasma gondii	aminopeptidase n, putative	0.0038	0.0177	0.0937
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0018	0.0053	0.0122
Echinococcus multilocularis	tumor protein p63	0.0662	0.4107	0.4107
Brugia malayi	hypothetical protein	0.0016	0.0042	0.0212
Loa Loa (eye worm)	hypothetical protein	0.007	0.0381	0.0865
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0018	0.0053	0.0269
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0181	0.2968
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.0177	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0053	0.0122
Trypanosoma cruzi	aminopeptidase, putative	0.0038	0.0177	0.1566
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0177	0.0402
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0181	0.161
Brugia malayi	ecdysteroid receptor	0.0018	0.0053	0.0269
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0018	0.0053	0.0122
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0053	0.0122
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0038	0.0177	0.0937
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0038	0.0177	0.0937
Schistosoma mansoni	hypothetical protein	0.0295	0.18	0.4088
Schistosoma mansoni	cellular tumor antigen P53	0.0097	0.055	0.1249
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0177	0.0402
Brugia malayi	Dihydrofolate reductase	0.0287	0.1747	0.8771
Echinococcus multilocularis	microtubule associated protein 2	0.0683	0.4239	0.4239
Toxoplasma gondii	aminopeptidase N protein	0.0038	0.0177	0.0937
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0238	0.0238
Brugia malayi	TATA binding protein associated factor	0.0038	0.0177	0.0889
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0381	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0018	0.0053	0.0122
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0018	0.0053	0.0269
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0177
Brugia malayi	Steroid receptor seven-up type 2	0.0018	0.0053	0.0269
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0287	0.1747	0.6301
Loa Loa (eye worm)	hypothetical protein	0.0097	0.055	0.1249
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0091	0.0207
Brugia malayi	nuclear receptor NHR-88	0.0018	0.0053	0.0269
Echinococcus granulosus	aminopeptidase N	0.0038	0.0177	0.0402
Mycobacterium ulcerans	beta-lactamase	0.007	0.0381	0.1895
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0381	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.0323	0.0734
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0018	0.0053	0.0122
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.0323	0.0323
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0098	0.0693
Schistosoma mansoni	hypothetical protein	0.0011	0.0011	0.0025
Onchocerca volvulus		0.0038	0.0177	0.1213
Schistosoma mansoni	hypothetical protein	0.0183	0.1093	0.2483
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0011	0.0011
Mycobacterium tuberculosis	Two component sensor kinase MprB	0.0019	0.0061	0.0118
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.007	0.0381	0.1895
Mycobacterium leprae	conserved hypothetical protein	0.007	0.0381	0.1895
Brugia malayi	exodeoxyribonuclease III family protein	0.0038	0.0181	0.091
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0038	0.0181	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0039	0.0088
Schistosoma mansoni	coup transcription factor	0.0018	0.0053	0.0122
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0181	0.161
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0018	0.0053	0.0269
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0018	0.0053	0.0053
Mycobacterium tuberculosis	Two component sensory transduction histidine kinase MtrB	0.0019	0.0061	0.0118
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0039	0.0039
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0159	0.094	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.0177	0.1566
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.0177	0.1566
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0018	0.0053	0.0269
Schistosoma mansoni	cpg binding protein	0.0032	0.0141	0.0321
Brugia malayi	MH2 domain containing protein	0.0117	0.0675	0.3389
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0038	0.0177	0.1566
Loa Loa (eye worm)	aminopeptidase N	0.0038	0.0177	0.0402
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0018	0.0053	0.0122
Echinococcus multilocularis	ecdysone induced protein 78C	0.0018	0.0053	0.0053
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0047	0.0106
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0279	0.0634
Onchocerca volvulus		0.0028	0.0119	0.0642
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.0514	0.2581
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0251	0.1263
Schistosoma mansoni	hypothetical protein	0.0016	0.0039	0.0088
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0119	0.027
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0159	0.094	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0238	0.0238
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0018	0.0053	0.0269
Brugia malayi	hypothetical protein	0.0025	0.0098	0.0494
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0381	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0018	0.0053	0.0122
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0039	0.0088
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0381	0.3818
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0051	0.0115
Onchocerca volvulus		0.007	0.0381	0.3208
Echinococcus granulosus	histone lysine methyltransferase setb	0.0018	0.0051	0.0115
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0007	0.0033
Echinococcus granulosus	GPCR family 2	0.0016	0.0039	0.0088
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0038	0.0177	0.1566
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0038	0.0181	0.5
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0279	0.1402
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0051	0.0115
Brugia malayi	PHD-finger family protein	0.0026	0.0106	0.0532
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0177	0.0402
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.007	0.0381	0.1912
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0091	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0217	0.0492
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0038	0.0181	1

Activities

Activity type	Activity value	Assay description	Source	Reference
I50 (binding)	= 7.3 M	In vitro inhibition of E. coli dihydrofolate reductase.	ChEMBL.	2754716
I50 (binding)	= 1100 M	In vitro inhibition of rat liver dihydrofolate reductase.	ChEMBL.	2754716
IC50 (binding)	= 0.000000073 M	In vitro inhibition of E. coli dihydrofolate reductase.	ChEMBL.	2754716
IC50 (binding)	= 0.000011 M	In vitro inhibition of rat liver dihydrofolate reductase.	ChEMBL.	2754716
MIC (functional)	= 0.8 ug ml-1	Ratio of antibacterial (Fusobacterium nucleatum) activities compared to that of trimethoprim and metronidazole	ChEMBL.	2754716
MIC (functional)	= 2 ug ml-1	Antibacterial (Staphylococcus pyogenes CN10) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	= 3.6 ug ml-1	Ratio of antibacterial (Bacillus fragilis) activities compared to that of trimethoprim and metronidazole	ChEMBL.	2754716
MIC (functional)	= 10 ug ml-1	Antibacterial (Staphylococcus aureus CN491) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	> 10 ug ml-1	Antibacterial (Serratia marcescens CN2398) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	> 25 ug ml-1	Ratio of antibacterial (Clostridium perfringens) activities compared to that of trimethoprim and metronidazole	ChEMBL.	2754716
MIC (functional)	> 25 ug ml-1	Ratio of antibacterial (Clostridium difficile) activities compared to that of trimethoprim and metronidazole	ChEMBL.	2754716
MIC (functional)	> 50 ug ml-1	Antibacterial (Proteus vulgaris CN329) activitiy compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	= 72 ug ml-1	Antibacterial (Escherichia coli) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	= 72 ug ml-1	Antibacterial (Escherichia coli) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	> 100 ug ml-1	Antibacterial (Mycobacterium smegmatis S3254) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	> 100 ug ml-1	Antibacterial (Klebsiella pneumoniae CN3632) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	> 100 ug ml-1	Antibacterial (Enterbacter aerogenes 2201/86) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	= 500 ug ml-1	Antibacterial (Pasteurella multocides ATCC6587) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	= 500 ug ml-1	Antibacterial (Shigella flexneri CN6007) activity compared to trimethoprim.	ChEMBL.	2754716
MIC (functional)	= 1000 ug ml-1	Antibacterial (Salmonella typhi CN512) activity compared to trimethoprim.	ChEMBL.	2754716

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: CHEMBL61357

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 88159