TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 398.346 | Formula: C18H10N2O7S
H donors: 1 H acceptors: 6 LogP: 2.89 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1OC(=O)c2c3c1cc(cc3ccc2)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C18H10N2O7S/c21-17-14-3-1-2-10-8-11(9-15(16(10)14)18(22)27-17)19-28(25,26)13-6-4-12(5-7-13)20(23)24/h1-9,19H
InChiKey: MERSPBBQKJYMFG-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	thymidylate synthetase	Starlite/ChEMBL	References
Homo sapiens	thymidylate synthetase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	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 ulcerans	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	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
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	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
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	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 parvum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	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
Trypanosoma brucei gambiense	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
Trypanosoma brucei	dihydrofolate reductase-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
Brugia malayi	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
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	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
Leishmania mexicana	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
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	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
Toxoplasma gondii	bifunctional 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
Cryptosporidium hominis	chain A, crystal structure of Dhfr	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

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 ulcerans	aldehyde dehydrogenase	0.0064	0.1271	0.1226
Onchocerca volvulus		0.004	0.0606	0.0461
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0896	0.0876
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.3877	0.3846
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0467	0.0446
Brugia malayi	beta-lactamase family protein	0.004	0.0606	0.0585
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0052	0.0052
Mycobacterium leprae	Probable lipase LipE	0.004	0.0606	0.0342
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0151	0.013
Brugia malayi	serine/threonine-protein kinase plk-2	0.0092	0.2	0.1982
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.2	0.196
Trichomonas vaginalis	esterase, putative	0.004	0.0606	0.0815
Brugia malayi	Bromodomain containing protein	0.0073	0.1493	0.1475
Schistosoma mansoni	hypothetical protein	0.0034	0.0467	0.0419
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0606	0.0815
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0151	0.3599	0.3567
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0127	0.0078
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0127	0.0078
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0151	0.3599	0.3567
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0023	0.0151	0.0151
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0023	0.0151	0.0151
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.102	0.1
Mycobacterium ulcerans	hypothetical protein	0.004	0.0606	0.0557
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.0606	0.0557
Leishmania major	hypothetical protein, conserved	0.004	0.0606	0.0557
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0023	0.0151	0.0151
Schistosoma mansoni	RAR-like nuclear receptor	0.0023	0.0151	0.0102
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0052	0.0934	0.0887
Schistosoma mansoni	retinoic acid receptor RXR	0.0023	0.0151	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0467	0.0467
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0092	0.2	0.196
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0273	0.0222
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.0606	0.0557
Schistosoma mansoni	kinase	0.0047	0.079	0.0744
Trypanosoma brucei	polo-like protein kinase	0.0092	0.2	0.1958
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.2	0.2865
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0606	0.0815
Schistosoma mansoni	bromodomain containing protein	0.0061	0.1188	0.1144
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0092	0.2	0.1877
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0151	0.3599	0.3567
Brugia malayi	ecdysteroid receptor	0.0023	0.0151	0.013
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.0606	0.0557
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0023	0.0151	0.0102
Schistosoma mansoni	ap endonuclease	0.0019	0.0052	0.0002
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0023	0.0151	0.0102
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.0151	0.013
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.0606	0.0557
Toxoplasma gondii	hypothetical protein	0.0027	0.0273	0.0222
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.1271	0.1227
Brugia malayi	Bromodomain containing protein	0.0037	0.0537	0.0517
Echinococcus granulosus	geminin	0.0388	0.9968	0.9968
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0606	0.0815
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.2	0.1958
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0079	0.1667	0.1626
Loa Loa (eye worm)	hypothetical protein	0.004	0.0606	0.0606
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.2	0.2865
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0253	0.6348	0.6329
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0023	0.0151	0.013
Mycobacterium tuberculosis	Conserved protein	0.004	0.0606	0.0557
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.0606	0.0557
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0023	0.0151	0.013
Brugia malayi	Pre-SET motif family protein	0.0034	0.0461	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1667	0.1667
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.2	0.1958
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0023	0.0151	0.0102
Echinococcus multilocularis	FTZ F1 alpha	0.0023	0.0151	0.0102
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0151	0.013
Loa Loa (eye worm)	hypothetical protein	0.004	0.0606	0.0606
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0151	0.3599	0.3599
Brugia malayi	Pre-SET motif family protein	0.0239	0.5963	0.5955
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0151	0.013
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0151	0.3599	0.3567
Brugia malayi	hypothetical protein	0.0028	0.0286	0.0265
Schistosoma mansoni	hypothetical protein	0.0388	0.9968	0.9968
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0052	0.0934	0.068
Trichomonas vaginalis	CAMK family protein kinase	0.0045	0.0758	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0905	0.0905
Loa Loa (eye worm)	hypothetical protein	0.004	0.0606	0.0606
Brugia malayi	nuclear hormone receptor	0.0023	0.0151	0.013
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0606	0.0559
Loa Loa (eye worm)	steroid hormone receptor	0.0023	0.0151	0.0151
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0023	0.0151	0.013
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0286	0.0286
Echinococcus granulosus	histone lysine methyltransferase setb	0.0051	0.0905	0.086
Echinococcus multilocularis	geminin	0.0388	0.9968	0.9968
Mycobacterium tuberculosis	Conserved protein	0.004	0.0606	0.0557
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0151	0.0102
Echinococcus granulosus	peptidase Clp S14 family	0.0052	0.0934	0.0889
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0606	0.0815
Mycobacterium tuberculosis	Conserved protein	0.004	0.0606	0.0557
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.1667	0.1624
Schistosoma mansoni	hypothetical protein	0.0055	0.102	0.0975
Trichomonas vaginalis	conserved hypothetical protein	0.0185	0.4516	0.6566
Brugia malayi	hypothetical protein	0.027	0.6794	0.6787
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0606	0.0557
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.1667	0.1624
Brugia malayi	nuclear receptor NHR-88	0.0023	0.0151	0.013
Mycobacterium ulcerans	beta-lactamase	0.004	0.0606	0.0557
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0461	0.0414
Trichomonas vaginalis	set domain proteins, putative	0.0272	0.6851	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0286	0.0236
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0092	0.2	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.1095	0.105
Echinococcus granulosus	ecdysone induced protein 78C	0.0023	0.0151	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0151	0.0151
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0023	0.0151	0.0102
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0286	0.0236
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0606	0.0559
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0023	0.0151	0.0102
Brugia malayi	photoreceptor-specific nuclear receptor	0.0023	0.0151	0.013
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0051	0.0905	0.086
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0601	0.0601
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0139	0.3266	0.3232
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.004	0.0606	0.0606
Schistosoma mansoni	peptidase Clp (S14 family)	0.0079	0.1667	0.1626
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0476	0.0428
Onchocerca volvulus		0.004	0.0606	0.0461
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0606	0.0557
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0151	0.013
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0606	0.0815
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0476	0.0428
Mycobacterium leprae	conserved hypothetical protein	0.004	0.0606	0.0342
Mycobacterium tuberculosis	Hypothetical protein	0.0185	0.4516	0.4488
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0151	0.0102
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0023	0.0151	0.0102
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.1667	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0023	0.0151	0.013
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0127	0.0078
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0151	0.0102
Echinococcus granulosus	survival motor neuron protein 1	0.027	0.6794	0.6778
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0286	0.0236
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0092	0.2	0.1958
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0023	0.0151	0.0102
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0427	0.038
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0064	0.1271	0.1226
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0023	0.0151	0.0102
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.2943	0.2943
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0185	0.4516	0.4488
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0023	0.0151	0.0102
Echinococcus multilocularis	survival motor neuron protein 1	0.027	0.6794	0.6778
Schistosoma mansoni	survival motor neuron protein	0.0055	0.102	0.0975
Brugia malayi	steroid hormone receptor	0.0023	0.0151	0.013
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0139	0.3266	0.3232
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0079	0.1667	1
Trichomonas vaginalis	CAMK family protein kinase	0.0045	0.0758	0.1038
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0023	0.0151	0.013
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0606	0.0559
Schistosoma mansoni	hypothetical protein	0.002	0.0077	0.0028
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0052	0.0002
Onchocerca volvulus		0.0272	0.6851	0.6802
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0539	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0151	0.0151
Schistosoma mansoni	nuclear hormone receptor	0.0023	0.0151	0.0102
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.2	0.2865
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0052	0.0934	0.0887
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0606	0.0585
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0023	0.0151	0.013
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.2	0.2865
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.0606	0.0557
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0151	0.3599	0.3585
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.1667	0.5
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.1271	0.1226
Loa Loa (eye worm)	hypothetical protein	0.004	0.0606	0.0606
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0052	0.0934	0.0889
Loa Loa (eye worm)	beta-lactamase	0.004	0.0606	0.0606
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0023	0.0151	0.0102
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.1667	0.1624
Leishmania major	hypothetical protein, conserved	0.0028	0.0286	0.0236
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0051	0.0905	0.086
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.0273	0.0222
Schistosoma mansoni	ap endonuclease	0.0019	0.0052	0.0002
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0896	0.0896
Echinococcus granulosus	FTZ F1 alpha	0.0023	0.0151	0.0102
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.0606	0.0557
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.0606	0.0557
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0052	0.0002
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.2	0.2865
Brugia malayi	hypothetical protein	0.0185	0.4516	0.4504
Brugia malayi	beta-lactamase	0.004	0.0606	0.0585
Echinococcus multilocularis	ecdysone induced protein 78C	0.0023	0.0151	0.0102
Loa Loa (eye worm)	hypothetical protein	0.027	0.6794	0.6794
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.1271	0.1227
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0151	0.3599	0.3567
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.1271	0.1226
Schistosoma mansoni	hypothetical protein	0.0139	0.3266	0.3232
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0286	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1382	0.1382
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0273	0.137
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0023	0.0151	0.0102
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.1667	0.1624
Loa Loa (eye worm)	hypothetical protein	0.005	0.0896	0.0896
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0461	0.0412
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.2	0.2865
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0023	0.0151	0.0151
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0023	0.0151	0.0102
Plasmodium vivax	SET domain protein, putative	0.0034	0.0461	0.0412
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.1667	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0023	0.0151	0.0151
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0151	0.3599	0.3567
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.2	0.2865
Loa Loa (eye worm)	hypothetical protein	0.004	0.0606	0.0606
Brugia malayi	PHD-finger family protein	0.0024	0.0189	0.0167
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0151	0.013
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0651	0.0651
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.1095	0.105
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0606	0.0606
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0079	0.1667	0.1624
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0023	0.0151	0.013
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0151	0.0151
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0286	0.0236
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0023	0.0151	0.0151
Onchocerca volvulus		0.0034	0.0461	0.0315
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0151	0.3599	0.3567
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0896	0.0876
Schistosoma mansoni	hypothetical protein	0.0388	0.9968	0.9968
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0052	0.003
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0606	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0151	0.0151
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0079	0.1667	0.1626
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0151	0.0102
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.0606	0.0557
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0151	0.013
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0151	0.0151
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0461	0.0414
Onchocerca volvulus		0.0055	0.102	0.0882
Giardia lamblia	Kinase, PLK	0.0092	0.2	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0161	0.3877	0.3846
Toxoplasma gondii	ABC1 family protein	0.004	0.0606	0.0557
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0023	0.0151	0.013
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0023	0.0151	0.0102
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0023	0.0151	0.0102
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0606	0.0559
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0151	0.0151
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0023	0.0151	0.0102
Onchocerca volvulus		0.004	0.0606	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0151	0.0151
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0606	0.0557
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0239	0.5963	0.5963
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0092	0.2	0.196
Mycobacterium ulcerans	lipase LipD	0.004	0.0606	0.0557
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0461	0.0414
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.1271	0.1226
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.2943	0.2943
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0079	0.1667	0.1433
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0023	0.0151	0.0151
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0286	0.0236
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0023	0.0151	0.0102
Brugia malayi	beta-lactamase family protein	0.004	0.0606	0.0585
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.1271	0.1227
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0286	0.0236
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.3877	0.3846
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.1271	0.1226
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.1271	0.1227
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.1667	0.1624
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0092	0.2	0.2
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0051	0.0905	0.086
Brugia malayi	Probable ClpP-like protease	0.0079	0.1667	0.1649
Brugia malayi	MH2 domain containing protein	0.0127	0.2943	0.2928
Schistosoma mansoni	coup transcription factor	0.0023	0.0151	0.0102

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1.2 uM	Inhibition of Escherichia coli thymidylate synthase A	ChEMBL.	23273520
Ki (binding)	= 1.3 uM	Inhibition of human thymidylate synthase A	ChEMBL.	23273520

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: CHEMBL2323390

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1727398