TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 358.416 | Formula: C20H14N4OS
H donors: 3 H acceptors: 1 LogP: 3.9 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc2[nH]c3c(c2c(=O)[nH]1)c(ccc3)Sc1cccc2c1cccc2
InChi: 1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-13(22-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H4,21,22,23,24,25)
InChiKey: NSASWBYEPOLHJW-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
Homo sapiens	thymidylate synthetase	Starlite/ChEMBL	References
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Loa Loa (eye worm)	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium berghei	bifunctional 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
Leishmania major	dihydrofolate reductase-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
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium tuberculosis	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
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	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
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania infantum	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
Mycobacterium ulcerans	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
Onchocerca volvulus		Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium yoelii	thymidylate synthase, putative	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

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0295	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.0012
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0377	0.2703	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0049	0.0286	0.0738
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0066	0.0072
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0377	0.2703	0.8859
Trichomonas vaginalis	glucosylceramidase, putative	0.0705	0.511	0.6525
Loa Loa (eye worm)	aspartyl protease 6	0.0055	0.0332	0.0424
Trichomonas vaginalis	inosine-uridine preferring nucleoside hydrolase, putative	0.0049	0.0286	0.0354
Leishmania major	inosine-guanine nucleoside hydrolase, putative	0.0049	0.0286	0.0738
Onchocerca volvulus		0.0055	0.0332	0.065
Echinococcus granulosus	acetylcholinesterase	0.0066	0.041	0.0654
Schistosoma mansoni	gliotactin	0.0011	0.0009	0.0009
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.0488	0.0777
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0053	0.0317	0.0895
Entamoeba histolytica	Inosine-uridine preferring nucleoside hydrolase, putative	0.0049	0.0286	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0119	0.0805	0.0805
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.0488	0.0488
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0121	0.0437
Toxoplasma gondii	hypothetical protein	0.0026	0.0121	0.0437
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0055	0.0332	0.0529
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0011	0.0009	0.0009
Echinococcus multilocularis	BRK domain	0.0011	0.0011	0.0017
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0011	0.0009	0.0009
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0154	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0998	0.1275
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0588	0.0752
Brugia malayi	BRM protein	0.0065	0.0409	0.0522
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0066	0.0066
Mycobacterium tuberculosis	Probable nucleoside hydrolase IunH (purine nucleosidase)	0.0049	0.0286	0.1201
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Trichomonas vaginalis	glucosylceramidase, putative	0.1074	0.7826	1
Brugia malayi	Carboxylesterase family protein	0.0011	0.0009	0.0012
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0119	0.0805	0.127
Plasmodium falciparum	plasmepsin IX	0.0055	0.0332	0.1221
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Trypanosoma cruzi	inosine-adenosine-guanosine-nucleosidehydrolase, putative	0.0424	0.3048	1
Trichomonas vaginalis	glucosylceramidase, putative	0.1074	0.7826	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0377	0.2703	0.8843
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0324	0.2314	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0154	0.0154
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0066	0.0072
Trichomonas vaginalis	glucosylceramidase, putative	0.0705	0.511	0.6525
Echinococcus multilocularis	BRK domain containing protein	0.0011	0.0011	0.0017
Plasmodium falciparum	plasmepsin V	0.0055	0.0332	0.1221
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0295	0.047
Plasmodium vivax	aspartyl protease, putative	0.0055	0.0332	0.1221
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0011	0.0009	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0066	0.041	0.0524
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0324	0.2314	0.2314
Loa Loa (eye worm)	carboxylesterase	0.0011	0.0009	0.0012
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Echinococcus granulosus	acetylcholinesterase	0.0066	0.041	0.0654
Brugia malayi	hypothetical protein	0.0119	0.0805	0.1029
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0055	0.0332	0.0332
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0324	0.2314	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0119	0.0805	0.1282
Loa Loa (eye worm)	acetylcholinesterase 1	0.0066	0.041	0.0524
Echinococcus multilocularis	BRK domain containing protein	0.0011	0.0011	0.0017
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0055	0.0332	0.0332
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0154	0.0245
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0377	0.2703	1
Brugia malayi	Carboxylesterase family protein	0.0066	0.041	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0998	0.1275
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0066	0.0084
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0011	0.0009	0.0015
Schistosoma mansoni	hypothetical protein	0.0031	0.0154	0.0154
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.1074	0.7826	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0488	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0055	0.0332	0.0332
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0055	0.0332	0.0529
Plasmodium vivax	aspartyl proteinase, putative	0.0055	0.0332	0.1221
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0488	0.1797
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0488	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0066	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0332	0.0424
Trichomonas vaginalis	inosine-uridine preferring nucleoside hydrolase, putative	0.0049	0.0286	0.0354
Plasmodium vivax	plasmepsin V, putative	0.0055	0.0332	0.1221
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0055	0.0332	0.0332
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0295	0.1239
Echinococcus granulosus	Chromo domain	0.0011	0.0011	0.0017
Schistosoma mansoni	hypothetical protein	0.0011	0.0011	0.0011
Onchocerca volvulus		0.0011	0.0009	0.0018
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0377	0.2703	0.8843
Echinococcus granulosus	carboxylesterase 5A	0.0066	0.041	0.0654
Loa Loa (eye worm)	thymidylate synthase	0.0324	0.2314	0.2956
Toxoplasma gondii	aspartyl protease ASP3	0.0055	0.0332	0.1221
Mycobacterium ulcerans	thymidylate synthase	0.0324	0.2314	0.3678
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Brugia malayi	aspartic protease BmAsp-2, identical	0.0055	0.0332	0.0424
Brugia malayi	Probable ClpP-like protease	0.0076	0.0488	0.0623
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0066	0.0105
Echinococcus granulosus	dihydrofolate reductase	0.0053	0.0317	0.0505
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0783	0.1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0055	0.0332	0.0424
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0053	0.0317	0.0491
Trichomonas vaginalis	glucosylceramidase, putative	0.0742	0.5389	0.6882
Brugia malayi	Associated with TFs and helicases family protein	0.0011	0.0011	0.0014
Toxoplasma gondii	SWI2/SNF2 Brahma-like putative	0.0012	0.0015	0.0047
Giardia lamblia	Hypothetical protein	0.0049	0.0286	1
Leishmania major	inosine-adenosine-guanosine-nucleoside hydrolase, putative	0.0424	0.3048	1
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.0863	0.6275	1
Toxoplasma gondii	aspartyl protease ASP1	0.0055	0.0332	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0066	0.041	0.0524
Echinococcus granulosus	para nitrobenzyl esterase	0.0011	0.0009	0.0015
Plasmodium falciparum	plasmepsin X	0.0055	0.0332	0.1221
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0066	0.0066
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0011	0.0009	0.0015
Echinococcus granulosus	dna polymerase eta	0.0019	0.0066	0.0105
Brugia malayi	Carboxylesterase family protein	0.0011	0.0009	0.0012
Loa Loa (eye worm)	alpha-L-fucosidase	0.0522	0.3765	0.4812
Trichomonas vaginalis	glucosylceramidase, putative	0.0705	0.511	0.6525
Trypanosoma cruzi	inosine-adenosine-guanosine-nucleosidehydrolase, putative	0.0424	0.3048	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0055	0.0332	0.0332
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0055	0.0332	0.0332
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0154	0.0245
Onchocerca volvulus		0.0011	0.0009	0.0018
Trichomonas vaginalis	glucosylceramidase, putative	0.1074	0.7826	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0066	0.009
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0154	0.0196
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0229	0.1611	0.205
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0066	0.0142
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0226	0.1587	0.2028
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.0295	0.0794
Trypanosoma brucei	inosine-guanine nucleoside hydrolase	0.0049	0.0286	0.087
Brugia malayi	dihydrofolate reductase family protein	0.0053	0.0317	0.0405
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0066	0.0105
Echinococcus multilocularis	BRK domain containing protein	0.0011	0.0011	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0416	0.0531
Onchocerca volvulus	Glucosylceramidase homolog	0.0705	0.511	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0588	0.0938
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0055	0.0332	0.0332
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0066	0.0084
Plasmodium vivax	aspartyl proteinase, putative	0.0055	0.0332	0.1221
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Schistosoma mansoni	cathepsin D (A01 family)	0.0055	0.0332	0.0332
Plasmodium falciparum	plasmepsin VII	0.0055	0.0332	0.1221
Plasmodium falciparum	plasmepsin VIII, putative	0.0055	0.0332	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0642	0.082
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0332	0.0424
Brugia malayi	follicle stimulating hormone receptor	0.0226	0.1587	0.2028
Echinococcus multilocularis	global transcription activator snf2l2	0.0065	0.0409	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0488	0.0623
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0066	0.0105
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.0642	0.082
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0055	0.0332	0.0332
Brugia malayi	Dihydrofolate reductase	0.0053	0.0317	0.0405
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0066	0.0105
Onchocerca volvulus		0.0011	0.0009	0.0018
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0588	0.0588
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.1074	0.7826	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0742	0.5389	0.6882
Trypanosoma brucei	inosine-adenosine-guanosine-nucleosidehydrolase	0.0424	0.3048	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0066	0.0246
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0488	0.0764
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0154	0.1063	0.3343
Echinococcus granulosus	BRK domain containing protein	0.0011	0.0011	0.0017
Echinococcus multilocularis	acetylcholinesterase	0.0066	0.041	0.0654
Trichomonas vaginalis	hypothetical protein	0.0049	0.0286	0.0354
Plasmodium falciparum	plasmepsin II	0.0055	0.0332	0.1221
Onchocerca volvulus		0.0055	0.0332	0.065
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.0012
Brugia malayi	Alpha-L-fucosidase family protein	0.0522	0.3765	0.4812
Schistosoma mansoni	cathepsin D (A01 family)	0.0055	0.0332	0.0332
Schistosoma mansoni	hypothetical protein	0.0031	0.0154	0.0154
Mycobacterium tuberculosis	Hypothetical protein	0.0154	0.1063	0.4572
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0588	0.0938
Onchocerca volvulus		0.0011	0.0009	0.0018
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0863	0.6275	1
Echinococcus multilocularis	chromodomain helicase DNA binding protein 7	0.0011	0.0011	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.0012
Plasmodium falciparum	plasmepsin IV	0.0055	0.0332	0.1221
Trichomonas vaginalis	conserved hypothetical protein	0.0154	0.1063	0.1348
Onchocerca volvulus		0.0011	0.0009	0.0018
Schistosoma mansoni	acetylcholinesterase	0.0011	0.0009	0.0009
Loa Loa (eye worm)	BRM protein	0.0034	0.0176	0.0225
Schistosoma mansoni	hypothetical protein	0.0066	0.0416	0.0416
Toxoplasma gondii	aldehyde dehydrogenase	0.0119	0.0805	0.297
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0154	0.0245
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0154	0.0245
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0066	0.009
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0119	0.0805	0.3452
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0488	0.5
Trichomonas vaginalis	inosine-uridine preferring nucleoside hydrolase, putative	0.0049	0.0286	0.0354
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0066	0.041	0.041
Brugia malayi	Carboxylesterase family protein	0.0011	0.0009	0.0012
Echinococcus granulosus	thymidylate synthase	0.0324	0.2314	0.3687
Schistosoma mansoni	hypothetical protein	0.0011	0.0011	0.0011
Brugia malayi	aspartic protease BmAsp-1, identical	0.0055	0.0332	0.0424
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0488	0.1797
Plasmodium vivax	aspartyl protease, putative	0.0055	0.0332	0.1221
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0055	0.0332	0.1221
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0154	0.0196
Echinococcus granulosus	neuroligin	0.0011	0.0009	0.0015
Schistosoma mansoni	aldehyde dehydrogenase	0.0119	0.0805	0.0805
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0055	0.0332	0.0413
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0055	0.0332	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.0012
Brugia malayi	MH2 domain containing protein	0.0116	0.0783	0.1
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0805	0.1576
Trichomonas vaginalis	glucosylceramidase, putative	0.1074	0.7826	1
Onchocerca volvulus		0.0324	0.2314	0.4528
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.0642	0.082
Brugia malayi	hypothetical protein	0.0154	0.1063	0.1358
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0053	0.0317	0.1335
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0332	0.0424
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Echinococcus granulosus	BC026374 protein S09 family	0.0011	0.0009	0.0015
Toxoplasma gondii	aspartyl protease	0.0055	0.0332	0.1221
Echinococcus granulosus	GPCR family 2	0.0031	0.0154	0.0245
Echinococcus multilocularis	BRK domain containing protein	0.0011	0.0011	0.0017
Schistosoma mansoni	hypothetical protein	0.0031	0.0154	0.0154
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0055	0.0332	0.0424
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0377	0.2703	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.079	0.5736	0.9142
Trichomonas vaginalis	glucosylceramidase, putative	0.1074	0.7826	1
Schistosoma mansoni	dihydrofolate reductase	0.0053	0.0317	0.0317
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0055	0.0332	0.0332
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0011	0.0009	0.0009
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0229	0.1611	0.205
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.0488	0.1797
Echinococcus multilocularis	Chromo domain	0.0011	0.0011	0.0017
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0066	0.0105
Brugia malayi	hypothetical protein	0.0055	0.0332	0.0424
Trypanosoma cruzi	inosine-guanine nucleoside hydrolase, putative	0.0049	0.0286	0.0738
Brugia malayi	hypothetical protein	0.0011	0.0009	0.0012
Trichomonas vaginalis	glucosylceramidase, putative	0.0705	0.511	0.6525
Trichomonas vaginalis	glucosylceramidase, putative	0.0705	0.511	0.6525
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.0416	0.0531
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0066	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0154	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.0012
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.0488	0.1674
Plasmodium falciparum	plasmepsin VI	0.0055	0.0332	0.1221
Loa Loa (eye worm)	dihydrofolate reductase	0.0053	0.0317	0.0405
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0066	0.0084
Echinococcus multilocularis	para nitrobenzyl esterase	0.0011	0.0009	0.0015
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.0488	0.0777
Schistosoma mansoni	alpha-l-fucosidase	0.0522	0.3765	0.3765
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0011	0.0009	0.0009
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0588	0.0588
Brugia malayi	hypothetical protein	0.0055	0.0332	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0805	0.1029
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0295	0.047
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0588	0.0752
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0783	0.1
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.0998	0.159
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0588	0.0938
Trichomonas vaginalis	glucosylceramidase, putative	0.0705	0.511	0.6525
Brugia malayi	Pepsin A precursor	0.0055	0.0332	0.0424
Loa Loa (eye worm)	carboxylesterase	0.0011	0.0009	0.0012
Echinococcus multilocularis	acetylcholinesterase	0.0066	0.041	0.0654
Echinococcus granulosus	global transcription activator snf2l2	0.0065	0.0409	0.0651
Loa Loa (eye worm)	BRM protein	0.0042	0.0235	0.03
Leishmania major	hypothetical protein, conserved	0.0049	0.0286	0.0738
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0119	0.0805	0.2477
Brugia malayi	Muscleblind-like protein	0.0145	0.0998	0.1275
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0066	0.0084
Schistosoma mansoni	helicase	0.0065	0.0409	0.0409
Leishmania major	nonspecific nucleoside hydrolase	0.0049	0.0286	0.0738
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0119	0.0805	0.127
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0119	0.0805	0.127
Echinococcus multilocularis	neuroligin	0.0011	0.0009	0.0015
Trypanosoma brucei	unspecified product	0.0019	0.0066	0.0142
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0066	0.0066
Plasmodium falciparum	plasmepsin I	0.0055	0.0332	0.1221
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0488	0.1797
Echinococcus multilocularis	carboxylesterase 5A	0.0066	0.041	0.0654
Plasmodium falciparum	plasmepsin III	0.0055	0.0332	0.1221
Echinococcus multilocularis	BRK domain containing protein	0.0011	0.0011	0.0017
Brugia malayi	Carboxylesterase family protein	0.0011	0.0009	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0805	0.1029
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0488	0.0764
Schistosoma mansoni	BC026374 protein (S09 family)	0.0011	0.0009	0.0009
Brugia malayi	Carboxylesterase family protein	0.0066	0.041	0.0524
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0121	0.0437
Trichomonas vaginalis	glucosylceramidase, putative	0.1074	0.7826	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0705	0.511	0.6525
Plasmodium vivax	aspartyl protease, putative	0.0055	0.0332	0.1221
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0119	0.0805	0.1282
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0588	0.0938
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Echinococcus multilocularis	thymidylate synthase	0.0324	0.2314	0.3687
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0066	0.0246
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0066	0.0142
Echinococcus granulosus	muscleblind protein	0.0145	0.0998	0.159
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.0142
Trichomonas vaginalis	lymphoid specific helicase, putative	0.0012	0.0015	0.0008
Plasmodium vivax	plasmepsin IV, putative	0.0055	0.0332	0.1221
Trichomonas vaginalis	inosine-uridine preferring nucleoside hydrolase, putative	0.0049	0.0286	0.0354
Brugia malayi	thymidylate synthase	0.0324	0.2314	0.2956
Mycobacterium ulcerans	alpha-L-fucosidase	0.0863	0.6275	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0049	0.0286	0.0738
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0588	0.0588
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.0012
Loa Loa (eye worm)	helicase DNA-binding protein	0.0011	0.0011	0.0014
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0055	0.0332	0.0424
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0154	0.0196
Echinococcus multilocularis	dihydrofolate reductase	0.0053	0.0317	0.0505
Echinococcus multilocularis	muscleblind protein	0.0145	0.0998	0.159
Echinococcus multilocularis	BRK domain containing protein	0.0011	0.0011	0.0017
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0805	0.1576
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0488	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.0642	0.082
Loa Loa (eye worm)	carboxylesterase	0.0066	0.041	0.0524

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 35.8 nM	Inhibition of wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analysis	ChEMBL.	24470841
IC50 (binding)	= 3250 nM	Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysis	ChEMBL.	24470841
IC50 (functional)	= 0.6 uM	Antibacterial activity against tachyzoite stage of Toxoplasma gondii PHdeltaHX infected in human TerT cells measured after 4 days	ChEMBL.	24470841
Inhibition (functional)		Antibacterial activity against tachyzoite stage of Toxoplasma gondii PHdeltaHX infected in human TerT cells assessed as inhibition of replication at 5 uM after 4 days	ChEMBL.	24470841
Ki (binding)	= 3.1 nM	Inhibition of wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analysis	ChEMBL.	24470841
Ki (binding)	= 378 nM	Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysis	ChEMBL.	24470841

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Toxoplasma gondii	ChEMBL23	24470841

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

Annotated phenotypes:

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

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

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External resources for this compound

ChEMBL: CHEMBL3099581

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1818809