TDR Targets

Basic information

Technical information

TDR Targets ID: 105987
Name: NSC719490
MW: 1032.34 | Formula: C48H26Br2Cl4O8
H donors: 4 H acceptors: 6 LogP: 14.02 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: Clc1cc(ccc1O)C1(OC(=O)c2c3c1ccc(c3ccc2)Br)c1ccc(c(c1)Cl)O.Clc1cc(ccc1O)C1(OC(=O)c2c3c1cccc3c(cc2)Br)c1ccc(c(c1)Cl)O
InChi: 1S/2C24H13BrCl2O4/c25-17-7-6-15-22-14(17)2-1-3-16(22)24(31-23(15)30,12-4-8-20(28)18(26)10-12)13-5-9-21(29)19(27)11-13;25-17-7-6-16-22-14(17)2-1-3-15(22)23(30)31-24(16,12-4-8-20(28)18(26)10-12)13-5-9-21(29)19(27)11-13/h2*1-11,28-29H
InChiKey: NREBNCDEBCZCTC-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

NCI60_041036

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	thymidylate synthetase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Brugia malayi	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania donovani	dihydrofolate reductase-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
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
Schistosoma japonicum	ko:K00560 thymidylate synthase [EC2.1.1.45], putative	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
Echinococcus granulosus	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
Leishmania infantum	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
Mycobacterium ulcerans	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
Echinococcus multilocularis	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
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	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
Cryptosporidium hominis	chain A, crystal structure of Dhfr	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
Leishmania major	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	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
Plasmodium berghei	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
Onchocerca volvulus		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
Leishmania braziliensis	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
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	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

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
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0011	0.0293	0.0311
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0006	0.0047	0.005
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0011	0.0293	0.0311
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0011	0.0293	0.0311
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0008	0.0137	0.0145
Echinococcus multilocularis	tyrosine kinase	0.0008	0.0137	0.0145
Echinococcus multilocularis	neuroglian	0.0008	0.0129	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0137	0.0137
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0129	0.0129
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0008	0.0126	0.0134
Brugia malayi	SH2 domain containing protein	0.0008	0.0137	0.0137
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0047	0.0047
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0008	0.0137	0.0145
Brugia malayi	hypothetical protein	0.0024	0.093	0.093
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0008	0.0126	0.0134
Schistosoma mansoni	tyrosine kinase	0.0008	0.0137	0.0145
Echinococcus multilocularis	twitchin	0.0006	0.0007	0.0007
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Echinococcus multilocularis	leucine rich repeat serine:threonine protein	0.005	0.221	0.2343
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0129	0.0129
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0011	0.0293	0.0311
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0006	0.0007	0.0007
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0133	0.6382	0.6382
Echinococcus granulosus	growth factor receptor bound protein 2	0.0006	0.0047	0.005
Onchocerca volvulus		0.0024	0.093	0.0986
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0129	0.0129
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0008	0.0129	0.0137
Loa Loa (eye worm)	TK/ALK protein kinase	0.0206	0.9997	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0126	0.0126
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0005	0.0003	0.0003
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0008	0.0129	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0126	0.0126
Echinococcus granulosus	tyrosine kinase	0.0008	0.0137	0.0145
Brugia malayi	protein unc-22	0.0006	0.0007	0.0007
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0129	0.0129
Echinococcus multilocularis	c src tyrosine kinase	0.0011	0.0293	0.0311
Echinococcus multilocularis	peroxidasin	0.0008	0.0133	0.0141
Echinococcus multilocularis	tyrosine protein kinase shark	0.0008	0.0137	0.0145
Onchocerca volvulus		0.0006	0.0007	0.0007
Echinococcus granulosus	leucine rich repeats and immunoglobulin	0.0005	0.0003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0129	0.0129
Onchocerca volvulus	Tyrosine kinase homolog	0.0128	0.6126	0.6495
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0129	0.0129
Echinococcus multilocularis	hemicentin 1	0.0008	0.0129	0.0137
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0006	0.0007	0.0007
Echinococcus multilocularis	roundabout 2	0.0016	0.0526	0.0557
Echinococcus granulosus	defective proboscis extension response	0.0008	0.0126	0.0134
Echinococcus granulosus	MAM	0.0024	0.093	0.0986
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0008	0.0137	0.0145
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0008	0.0137	0.0145
Schistosoma mansoni	hypothetical protein	0.0024	0.093	0.0986
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0129	0.0129
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0126	0.0126
Echinococcus granulosus	roundabout 2	0.0008	0.0129	0.0137
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0008	0.0136	0.0136
Schistosoma mansoni	septate junction protein	0.0008	0.0129	0.0137
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0008	0.0137	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0129	0.0129
Echinococcus multilocularis	lachesin	0.0008	0.0129	0.0137
Schistosoma mansoni	cell adhesion molecule	0.0011	0.0256	0.0271
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0129	0.0129
Echinococcus multilocularis	titin	0.0006	0.0007	0.0007
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0195	0.9432	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0008	0.0129	0.0129
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0011	0.0293	0.0311
Loa Loa (eye worm)	CAMK protein kinase	0.0006	0.0007	0.0007
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0011	0.0256	0.0271
Schistosoma mansoni	septate junction protein	0.0008	0.0129	0.0137
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0195	0.9432	1
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0137	0.0137
Brugia malayi	Tyrosine-protein kinase abl-1	0.0011	0.0293	0.0293
Loa Loa (eye worm)	TK protein kinase	0.0008	0.0137	0.0137
Schistosoma mansoni	slit	0.0005	0.0003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0129	0.0129
Schistosoma mansoni	serine/threonine protein kinase	0.0008	0.0133	0.0141
Mycobacterium ulcerans	thymidylate synthase	0.0195	0.9432	0.5
Schistosoma mansoni	hypothetical protein	0.0024	0.093	0.0986
Brugia malayi	hypothetical protein	0.0093	0.4345	0.4345
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0006	0.0047	0.005
Echinococcus granulosus	hemicentin 1	0.0008	0.0129	0.0137
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0008	0.0129	0.0129
Brugia malayi	Protein kinase domain containing protein	0.005	0.221	0.221
Schistosoma mansoni	neuroglian	0.0008	0.0129	0.0137
Schistosoma mansoni	roundabout	0.0008	0.0129	0.0137
Echinococcus granulosus	Immunoglobulin	0.0008	0.0126	0.0134
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0011	0.0293	0.0311
Echinococcus granulosus	thymidylate synthase	0.0195	0.9432	1
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0137	0.0137
Echinococcus granulosus	tyrosine protein kinase otk	0.0008	0.0129	0.0137
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0011	0.0299	0.0318
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0011	0.0293	0.0311
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0008	0.0137	0.0145
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0008	0.0129	0.0137
Brugia malayi	hypothetical protein	0.0008	0.0126	0.0126
Schistosoma mansoni	nephrin	0.0008	0.0129	0.0137
Schistosoma mansoni	cell adhesion molecule	0.0008	0.0129	0.0137
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0195	0.9432	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0526	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0024	0.093	0.0931
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0137	0.0137
Brugia malayi	protein-tyrosine kinase	0.0008	0.0137	0.0137
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0137	0.0137
Onchocerca volvulus		0.0008	0.0137	0.0145
Loa Loa (eye worm)	SRC-1	0.0011	0.0293	0.0293
Onchocerca volvulus		0.0008	0.0137	0.0145
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.001	0.0246	0.0261
Loa Loa (eye worm)	TK/ROR protein kinase	0.001	0.0246	0.0246
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0011	0.0293	0.0311
Brugia malayi	Immunoglobulin I-set domain containing protein	0.001	0.0246	0.0246
Schistosoma mansoni	serine/threonine protein kinase	0.0006	0.0007	0.0007
Echinococcus granulosus	twitchin	0.0014	0.0403	0.0427
Onchocerca volvulus		0.0195	0.9432	1
Onchocerca volvulus		0.0008	0.0137	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0024	0.093	0.0931
Schistosoma mansoni	titin	0.0008	0.0129	0.0137
Echinococcus granulosus	peroxidasin	0.0008	0.0133	0.0141
Echinococcus multilocularis	MAM	0.0024	0.093	0.0986
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0133	0.6382	0.6384
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0195	0.9432	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0005	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0008	0.013	0.013
Echinococcus granulosus	NCK adaptor protein	0.0006	0.0047	0.005
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0126	0.0126
Brugia malayi	Prion-like-	0.0008	0.0129	0.0129
Echinococcus multilocularis	roundabout 2	0.0008	0.0129	0.0137
Echinococcus granulosus	neuroglian	0.0008	0.0129	0.0137
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0011	0.0293	0.0311
Echinococcus multilocularis	thymidylate synthase	0.0195	0.9432	1
Brugia malayi	Peroxidasin	0.0008	0.0133	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0024	0.093	0.0931
Onchocerca volvulus		0.0008	0.0137	0.0145
Schistosoma mansoni	vesicular amine transporter	0.0008	0.0126	0.0134
Schistosoma mansoni	tyrosine kinase	0.0008	0.0137	0.0145
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0195	0.9432	0.5
Echinococcus multilocularis	neuroglian	0.0013	0.0396	0.042
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0006	0.0047	0.0047
Loa Loa (eye worm)	thymidylate synthase	0.0195	0.9432	0.9435
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Echinococcus multilocularis	leucine rich repeats and immunoglobulin	0.0005	0.0003	0.0004
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0129	0.0129
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0011	0.0293	0.0311
Schistosoma mansoni	serine/threonine protein kinase	0.0006	0.0007	0.0007
Echinococcus granulosus	neuroglian	0.0013	0.0396	0.042
Schistosoma mansoni	tyrosine kinase	0.0011	0.0293	0.0311
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.001	0.0246	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0133	0.0133
Schistosoma mansoni	growth factor receptor-bound protein	0.0006	0.0047	0.005
Schistosoma mansoni	tyrosine kinase	0.0013	0.0375	0.0398
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0011	0.0293	0.0311
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0011	0.0293	0.0311
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0008	0.0137	0.5
Echinococcus granulosus	lachesin	0.0008	0.0129	0.0137
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0011	0.0293	0.0311
Echinococcus granulosus	contactin	0.0008	0.0129	0.0137
Brugia malayi	Fibronectin type III domain containing protein	0.0008	0.0126	0.0126
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0129	0.0129
Echinococcus multilocularis	roundabout 2	0.0008	0.0129	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0047	0.0047
Onchocerca volvulus		0.0024	0.093	0.0986
Echinococcus multilocularis	tyrosine protein kinase otk	0.0008	0.0129	0.0137
Echinococcus granulosus	roundabout 2	0.0016	0.0526	0.0557
Onchocerca volvulus		0.0008	0.0137	0.0145
Schistosoma mansoni	tyrosine kinase	0.0011	0.0293	0.0311
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0011	0.0293	0.0311
Echinococcus granulosus	tyrosine protein kinase Srms	0.0008	0.0137	0.0145
Loa Loa (eye worm)	TK/ABL protein kinase	0.0008	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0126	0.0126
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0008	0.0137	0.0145
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0008	0.0137	0.0145
Echinococcus granulosus	tyrosine protein kinase shark	0.0008	0.0137	0.0145
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0137	0.0137
Echinococcus multilocularis	NCK adaptor protein	0.0006	0.0047	0.005
Schistosoma mansoni	tyrosine kinase	0.0011	0.0293	0.0311
Onchocerca volvulus		0.0008	0.0137	0.0145
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0008	0.0129	0.0137
Brugia malayi	SH2 domain containing protein	0.0008	0.0137	0.0137
Echinococcus granulosus	titin	0.0006	0.0007	0.0007
Echinococcus multilocularis	Immunoglobulin	0.0008	0.0126	0.0134
Brugia malayi	SRC-1	0.0011	0.0293	0.0293
Brugia malayi	Leucine Rich Repeat family protein	0.0005	0.0003	0.0003
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0047	0.0047
Echinococcus granulosus	tyrosine kinase	0.0008	0.0137	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0177	0.855	0.8553
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0195	0.9432	0.5
Echinococcus granulosus	roundabout 2	0.0008	0.0129	0.0137
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0008	0.0129	0.0137
Brugia malayi	hypothetical protein	0.0008	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0256	0.0256
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0011	0.0293	0.0311
Onchocerca volvulus		0.0005	0.0003	0.0004
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0008	0.0129	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0126	0.0126
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0129	0.0129
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0011	0.0293	0.0311
Schistosoma mansoni	cell adhesion molecule	0.0008	0.0129	0.0137
Echinococcus multilocularis	Immunoglobulin	0.0008	0.0126	0.0134
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0008	0.0126	0.0134
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0011	0.0293	0.0311
Schistosoma mansoni	growth factor receptor-bound protein	0.0006	0.0047	0.005
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0195	0.9432	0.5
Echinococcus granulosus	titin	0.0006	0.0007	0.0007
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0195	0.9432	0.5
Onchocerca volvulus		0.0118	0.561	0.5948
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0011	0.0293	0.0311
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0195	0.9432	1
Schistosoma mansoni	tyrosine kinase	0.0011	0.0293	0.0311
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0011	0.0293	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0526	0.0526
Schistosoma mansoni	nck2/grb4	0.0006	0.0047	0.005
Echinococcus granulosus	c src tyrosine kinase	0.0011	0.0293	0.0311
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0008	0.0129	0.0137
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0008	0.0129	0.0129
Brugia malayi	thymidylate synthase	0.0195	0.9432	0.9432
Echinococcus granulosus	tyrosine protein kinase Blk	0.0008	0.0137	0.0145
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0008	0.0129	0.0137
Loa Loa (eye worm)	TK protein kinase	0.001	0.0246	0.0246
Trichomonas vaginalis	conserved hypothetical protein	0.0093	0.4345	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0137	0.0137
Schistosoma mansoni	nephrin	0.0013	0.0396	0.042
Echinococcus multilocularis	hemicentin 1	0.0008	0.0129	0.0137
Onchocerca volvulus	Peroxidasin homolog	0.0006	0.0024	0.0025
Schistosoma mansoni	adapter molecule crk	0.0006	0.0047	0.005
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0011	0.0293	0.0311
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0006	0.0047	0.0047
Brugia malayi	Sex muscle abnormal protein 5	0.0006	0.0047	0.0047
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0008	0.0129	0.0137
Schistosoma mansoni	titin	0.0006	0.0007	0.0007
Echinococcus granulosus	leucine rich repeat serine:threonine protein	0.005	0.2226	0.2361
Loa Loa (eye worm)	TKL/LRRK protein kinase	0.005	0.221	0.221
Schistosoma mansoni	cell adhesion molecule	0.0008	0.0129	0.0137

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 154 uM	In vitro cytotoxicity against mock infected MT-4 cells.	ChEMBL.	10377217
CC50 (functional)	= 154 uM	In vitro cytotoxicity against mock infected MT-4 cells.	ChEMBL.	10377217
GI50 (functional)	-5.021	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.825	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.776	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.756	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.741	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.724	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.712	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.677	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.625	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
IF (binding)	= 0.36	Inhibition factor for Lactobacillus casei Thymidylate synthase at 27 uM.	ChEMBL.	10377217
IF (binding)	= 1	Inhibition factor for Human Thymidylate synthase at 27 uM.	ChEMBL.	10377217
IF (binding)	= 0.36	Inhibition factor for Lactobacillus casei Thymidylate synthase at 27 uM.	ChEMBL.	10377217
IF (binding)	= 1	Inhibition factor for Human Thymidylate synthase at 27 uM.	ChEMBL.	10377217
Ki (binding)	= 6.3 uM	In vitro inhibition of Lactobacillus casei Thymidylate synthase.	ChEMBL.	10377217
Ki (binding)	= 6.3 uM	In vitro inhibition of Lactobacillus casei Thymidylate synthase.	ChEMBL.	10377217
MGC (functional)	= 3.1 uM	In vitro minimum concentration for germicidal effect on Streptococcus.	ChEMBL.	10377217
MGC (functional)	> 12.5 uM	In vitro evaluation of the compound for minimum germicidal effect on Stapylococcus aureus was determined	ChEMBL.	10377217
MIC (functional)	> 3.1 uM	In vitro inhibition of Stapylococcus aureus growth.	ChEMBL.	10377217
MIC (functional)	= 3.1 uM	In vitro inhibition of Streptococcus growth.	ChEMBL.	10377217
MIC (functional)	> 200 uM	In vitro inhibition of Cryptococcus neoformans growth.	ChEMBL.	10377217
MIC (functional)	> 200 uM	In vitro inhibition of Cryptococcus neoformans growth.	ChEMBL.	10377217
SI (functional)	= 49.6	Ratio of cytotoxic concentration to that of minimum inhibitory concentration against Steptococcus (CC50/MIC50).	ChEMBL.	10377217

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: CHEMBL65398
PubChem: 403903

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 105987