TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 902.829 | Formula: C44H52BrN7O9
H donors: 8 H acceptors: 8 LogP: 4.57 Rotable bonds: 28
Rule of 5 violations (Lipinski): 3
SMILES: O=C(/C=C/c1ccc(cc1)Br)NCCCC[C@H](C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C
InChi: 1S/C44H52BrN7O9/c1-44(2,3)61-43(60)52-35(24-29-26-48-32-14-8-7-13-31(29)32)41(58)49-33(15-9-10-22-47-37(53)21-18-27-16-19-30(45)20-17-27)40(57)51-36(25-38(54)55)42(59)50-34(39(46)56)23-28-11-5-4-6-12-28/h4-8,11-14,16-21,26,33-36,48H,9-10,15,22-25H2,1-3H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/b21-18-/t33-,34?,35?,36?/m0/s1
InChiKey: LUSDGUAJGAQFKJ-PRWJTVJASA-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
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Curated by TDR Targets	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	dihydrofolate reductase-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
Mycobacterium tuberculosis	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
Echinococcus multilocularis	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
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
Trypanosoma brucei gambiense	dihydrofolate reductase-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
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	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 falciparum	bifunctional 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
Schistosoma mansoni	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
Leishmania infantum	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
Onchocerca volvulus		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
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	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
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	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
Leishmania major	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
Schistosoma japonicum	ko:K00560 thymidylate synthase [EC2.1.1.45], putative	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	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 japonicum	hypothetical protein	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	Receptor type tyrosine protein phosphatase O	0.0083	0.0123	0.0374
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Onchocerca volvulus		0.0083	0.0123	0.0133
Onchocerca volvulus		0.0415	0.3284	0.3567
Brugia malayi	hypothetical protein	0.0083	0.0123	0.0123
Treponema pallidum	sodium- and chloride- dependent transporter	0.0415	0.3284	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0415	0.3284	0.3284
Onchocerca volvulus		0.1036	0.9206	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.013	0.0566	0.5
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0973	0.861	0.9155
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0083	0.0123	0.0374
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0083	0.0123	0.0374
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Echinococcus granulosus	thymidylate synthase	0.013	0.0566	0.1723
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	0.107	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0973	0.861	0.9155
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	0.107	1
Loa Loa (eye worm)	hypothetical protein	0.0261	0.1819	0.1934
Onchocerca volvulus		0.0083	0.0123	0.0133
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0146	0.0719	0.2188
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0146	0.0719	0.2188
Loa Loa (eye worm)	hypothetical protein	0.0973	0.861	0.9155
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0183	0.107	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0083	0.0123	0.0374
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0083	0.0123	0.0131
Onchocerca volvulus		0.0083	0.0123	0.0133
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0083	0.0123	0.0374
Trichomonas vaginalis	pten, drome, putative	0.0083	0.0123	0.5
Loa Loa (eye worm)	hypothetical protein	0.0415	0.3284	0.3492
Brugia malayi	hypothetical protein	0.0228	0.1507	0.1507
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Echinococcus multilocularis	serotonin transporter	0.0415	0.3284	1
Onchocerca volvulus	4.1 G protein, putative homolog	0.0083	0.0123	0.0133
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0083	0.0123	0.0123
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0317	0.2354	0.7169
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0146	0.0719	0.2188
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0083	0.0123	0.0374
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0083	0.0123	0.0374
Onchocerca volvulus		0.0083	0.0123	0.0133
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0146	0.0719	0.2188
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0083	0.0123	0.0374
Brugia malayi	hypothetical protein	0.0261	0.1819	0.1819
Onchocerca volvulus		0.0083	0.0123	0.0133
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0083	0.0123	0.0374
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0083	0.0123	0.0374
Onchocerca volvulus		0.0083	0.0123	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Mycobacterium ulcerans	thymidylate synthase	0.013	0.0566	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0083	0.0123	0.0374
Echinococcus multilocularis	thymidylate synthase	0.013	0.0566	0.1723
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0083	0.0123	0.0123
Brugia malayi	hypothetical protein	0.0083	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0415	0.3284	0.3492
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0083	0.0123	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Onchocerca volvulus		0.013	0.0566	0.0615
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.1057	0.9404	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0146	0.0719	0.2188
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0083	0.0123	0.0374
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0317	0.2354	0.7169
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0317	0.2354	0.2503
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0146	0.0719	0.2188
Echinococcus multilocularis	hypothetical protein	0.0083	0.0123	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0317	0.2354	0.7169
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0146	0.0719	0.2188
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0146	0.0719	0.2188
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0317	0.2354	0.2354
Brugia malayi	Protein-tyrosine phosphatase 1	0.0083	0.0123	0.0123
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0146	0.0719	0.2188
Onchocerca volvulus		0.0083	0.0123	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0083	0.0123	0.0374
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0083	0.0123	0.0374
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0083	0.0123	0.0374
Echinococcus multilocularis	survival motor neuron protein 1	0.0228	0.1507	0.4589
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Onchocerca volvulus		0.0083	0.0123	0.0133
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0083	0.0123	0.0374
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0183	0.107	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Onchocerca volvulus		0.0083	0.0123	0.0133
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0083	0.0123	0.0374
Brugia malayi	Protein-tyrosine phosphatase	0.0083	0.0123	0.0123
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0146	0.0719	0.2188
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0083	0.0123	0.0374
Echinococcus granulosus	serotonin transporter	0.0415	0.3284	1
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0083	0.0123	0.0374
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0083	0.0123	0.0374
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0083	0.0123	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1507	0.1602
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0083	0.0123	0.0131
Giardia lamblia	Protein tyrosine phosphatase	0.0083	0.0123	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Brugia malayi	thymidylate synthase	0.013	0.0566	0.0566
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0083	0.0123	0.0374
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0083	0.0123	0.0374
Onchocerca volvulus		0.0083	0.0123	0.0133
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0083	0.0123	0.0131
Onchocerca volvulus		0.0083	0.0123	0.0133
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Schistosoma mansoni	protein tyrosine phosphatase	0.0146	0.0719	0.2188
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Onchocerca volvulus		0.0083	0.0123	0.0133
Onchocerca volvulus		0.0083	0.0123	0.0133
Brugia malayi	hypothetical protein	0.0083	0.0123	0.0123
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0083	0.0123	0.0374
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0146	0.0719	0.2188
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0083	0.0123	0.0374
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0183	0.107	1
Brugia malayi	hypothetical protein	0.0083	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0083	0.0123	0.0374
Onchocerca volvulus		0.0083	0.0123	0.0133
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Loa Loa (eye worm)	thymidylate synthase	0.013	0.0566	0.0602
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0146	0.0719	0.2188
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0083	0.0123	0.0374
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0083	0.0123	0.5
Loa Loa (eye worm)	norepinephrine transporter	0.0415	0.3284	0.3492
Onchocerca volvulus		0.0083	0.0123	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Onchocerca volvulus		0.0083	0.0123	0.0133
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0415	0.3284	0.3492
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0146	0.0719	0.0764
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0083	0.0123	0.0131
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0083	0.0123	0.0374
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Schistosoma mansoni	sodium/chloride dependent transporter	0.0415	0.3284	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Onchocerca volvulus		0.0083	0.0123	0.0133
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0146	0.0719	0.2188
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0083	0.0123	0.0374
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Onchocerca volvulus		0.0083	0.0123	0.0133
Schistosoma mansoni	pcd6 interacting protein-related	0.0083	0.0123	0.0374
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0146	0.0719	0.2188
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0083	0.0123	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0146	0.0719	0.2188
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Echinococcus granulosus	survival motor neuron protein 1	0.0228	0.1507	0.4589
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0083	0.0123	0.0374
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0083	0.0123	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0083	0.0123	0.0374
Loa Loa (eye worm)	serotonin transporter b	0.0415	0.3284	0.3492
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Onchocerca volvulus		0.0083	0.0123	0.0133
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0083	0.0123	0.0123
Echinococcus multilocularis		0.0083	0.0123	0.0374
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0083	0.0123	0.5
Brugia malayi	hypothetical protein	0.0083	0.0123	0.0123
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.0566	0.5
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0083	0.0123	0.0374
Schistosoma mansoni	protein tyrosine phosphatase	0.0083	0.0123	0.0374
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0083	0.0123	0.5
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0123	0.0131
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0083	0.0123	0.0374
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0083	0.0123	0.0131
Onchocerca volvulus		0.0083	0.0123	0.0133
Onchocerca volvulus		0.0083	0.0123	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0415	0.3284	0.3492
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.0566	0.1723
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0083	0.0123	0.0374
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0183	0.107	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0083	0.0123	0.0374
Onchocerca volvulus		0.0083	0.0123	0.0133
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0415	0.3284	1
Brugia malayi	sulfakinin receptor protein	0.0261	0.1819	0.1819
Schistosoma mansoni	protein tyrosine phosphatase	0.0083	0.0123	0.0374
Onchocerca volvulus		0.0083	0.0123	0.0133

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 38 nM	Stimulation of amylase release in guinea pig pancreas	ChEMBL.	1375964
IC50 (binding)	= 140 nm	Inhibition of specific binding of [125I]-BH-CCK-8 in guinea pig pancreas.	ChEMBL.	1375964
IC50 (binding)	= 5100 nm	Inhibition of specific binding of [125I]-BH-CCK-8 in guinea pig cortex	ChEMBL.	1375964
Max (functional)	= 72 %	Hydrolysis of phosphoinositide (PI) relative to maximal response elicited by CCK-8 in guinea pig pancreas.	ChEMBL.	1375964

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.

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External resources for this compound

ChEMBL: 196762

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 100463