TDR Targets

Basic information

Technical information

TDR Targets ID: 1277847
Name: [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl] -[4-(4-fluorophenyl)piperazin-1-yl]methanone
MW: 507.373 | Formula: C22H20BrFN2O4S
H donors: 0 H acceptors: 3 LogP: 3.93 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(o1)CS(=O)(=O)c1ccc(cc1)Br
InChi: 1S/C22H20BrFN2O4S/c23-16-1-8-20(9-2-16)31(28,29)15-19-7-10-21(30-19)22(27)26-13-11-25(12-14-26)18-5-3-17(24)4-6-18/h1-10H,11-15H2
InChiKey: HDDHBTTYYODODJ-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

[5-[(4-bromophenyl)sulfonylmethyl]-2-furyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
[5-[(4-bromophenyl)sulfonylmethyl]-2-furyl]-[4-(4-fluorophenyl)-1-piperazinyl]methanone
C521-0307
NCGC00109347-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196

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
Brugia malayi	N-terminal motif family protein	0.0175	0.1608	0.1671
Loa Loa (eye worm)	mannose-6-phosphate isomerase	0.0497	0.5256	0.5465
Echinococcus granulosus	hexokinase	0.0483	0.5097	0.5299
Trypanosoma brucei	Putative Phosphatase/Protein of unknown function DUF89, putative	0.0517	0.5484	0.5702
Loa Loa (eye worm)	transcription factor SMAD2	0.0359	0.3689	0.3836
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.0882	0.9618	1
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0099	0.0744	0.0774
Entamoeba histolytica	phosphomannomutase, putative	0.0136	0.116	0.1543
Trichomonas vaginalis	phosphomannomutase, putative	0.0136	0.116	0.116
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.0882	0.9618	1
Brugia malayi	Bm-MIF-1, identical	0.0697	0.7518	0.7816
Trypanosoma brucei	polo-like protein kinase	0.0383	0.396	0.4117
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.0092	0.0017
Onchocerca volvulus		0.015	0.1321	0.248
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0352	0.3612	0.3755
Plasmodium vivax	phosphomannomutase, putative	0.0136	0.116	0.1093
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.0075	0.0078
Loa Loa (eye worm)	hexokinase	0.0483	0.5097	0.5299
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0383	0.396	0.4117
Schistosoma mansoni	hypothetical protein	0.0111	0.0882	0.0917
Onchocerca volvulus		0.006	0.0296	0.0439
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0576	0.615	0.6114
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0882	0.9618	1
Brugia malayi	Hexokinase family protein	0.0303	0.3055	0.3177
Schistosoma mansoni	phosphomannomutase	0.0136	0.116	0.1206
Echinococcus granulosus	hexokinase	0.0483	0.5097	0.5299
Brugia malayi	Hexokinase family protein	0.0149	0.1314	0.1366
Loa Loa (eye worm)	hypothetical protein	0.004	0.0075	0.0078
Entamoeba histolytica	hypothetical protein	0.0043	0.0111	0.0148
Echinococcus multilocularis	Polycystic kidney disease protein	0.004	0.0075	0.0078
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0099	0.0744	0.0774
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0697	0.7518	0.7518
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0882	0.9618	1
Mycobacterium tuberculosis	Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho	0.027	0.2675	0.824
Mycobacterium ulcerans	mannose-6-phosphate isomerase ManA	0.0497	0.5256	0.5465
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0052	0.0052
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0297	0.2988	0.3107
Leishmania major	phosphomannomutase, putative	0.0136	0.116	0.1206
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.0882	0.9618	1
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0297	0.2988	0.3107
Trypanosoma cruzi	hexokinase, putative	0.0483	0.5097	0.5299
Schistosoma mansoni	serine/threonine protein kinase	0.0383	0.396	0.4117
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0383	0.396	0.5267
Echinococcus granulosus	hexokinase type 2	0.0483	0.5097	0.5299
Trypanosoma brucei	hexokinase	0.0483	0.5097	0.5299
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0142	0.1227	0.1276
Loa Loa (eye worm)	hypothetical protein	0.015	0.1321	0.1373
Entamoeba histolytica	mannose-6-phosphate isomerase, putative	0.0228	0.22	0.2926
Toxoplasma gondii	phosphomannomutase	0.0136	0.116	0.1078
Echinococcus multilocularis	RUN	0.004	0.0075	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0383	0.396	0.396
Echinococcus granulosus	RUN	0.004	0.0075	0.0078
Loa Loa (eye worm)	mannose-6-phosphate isomerase	0.0497	0.5256	0.5465
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0916	1	1
Loa Loa (eye worm)	RNA binding protein	0.019	0.1778	0.1849
Loa Loa (eye worm)	hypothetical protein	0.0154	0.136	0.1414
Leishmania major	hexokinase, putative	0.0483	0.5097	0.5299
Giardia lamblia	Macrophage migration inhibitory factor	0.0697	0.7518	0.7518
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0111	0.0882	0.0917
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0052	0.0069
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0142	0.1227	0.1276
Schistosoma mansoni	rab6-interacting	0.004	0.0075	0.0078
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0159	0.0165
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0099	0.0744	0.0774
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0916	1	1
Brugia malayi	mannose-6-phosphate isomerase, class I family protein	0.0497	0.5256	0.5465
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0352	0.3612	0.3755
Trypanosoma cruzi	Putative Phosphatase/Protein of unknown function DUF89, putative	0.0517	0.5484	0.5702
Brugia malayi	Doublecortin family protein	0.004	0.0075	0.0078
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0916	1	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0383	0.396	0.4117
Echinococcus multilocularis	GPCR, family 2	0.0111	0.0882	0.0917
Trypanosoma brucei	hexokinase	0.0483	0.5097	0.5299
Trichomonas vaginalis	CAMK family protein kinase	0.0383	0.396	0.396
Entamoeba histolytica	phosphomannose isomerase, putative	0.0497	0.5256	0.6992
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2348	0.2441
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0383	0.396	0.4117
Entamoeba histolytica	hypothetical protein	0.0043	0.0111	0.0148
Loa Loa (eye worm)	hypothetical protein	0.033	0.3355	0.3488
Brugia malayi	hypothetical protein	0.0043	0.0111	0.0115
Brugia malayi	hexokinase type II	0.0154	0.136	0.1414
Schistosoma mansoni	rab6-interacting	0.004	0.0075	0.0078
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0352	0.3612	0.3755
Trypanosoma brucei	hexokinase, putative	0.0483	0.5097	0.5299
Loa Loa (eye worm)	hexokinase	0.0303	0.3055	0.3177
Brugia malayi	hypothetical protein	0.015	0.1321	0.1373
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1778	0.1849
Schistosoma mansoni	kinase	0.0195	0.1825	0.1897
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0306	0.3087	1
Schistosoma mansoni	hypothetical protein	0.0241	0.2348	0.2441
Trypanosoma cruzi	phosphomannose isomerase, putative	0.0497	0.5256	0.5465
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.0075	0.0078
Brugia malayi	serine/threonine-protein kinase plk-2	0.0383	0.396	0.4117
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0284	0.2836	0.2948
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0159	0.0165
Echinococcus granulosus	GPCR family 2	0.0111	0.0882	0.0917
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0111	0.0115
Echinococcus granulosus	tar DNA binding protein	0.019	0.1778	0.1849
Plasmodium falciparum	mannose-6-phosphate isomerase, putative	0.0497	0.5256	0.5232
Plasmodium falciparum	LCCL domain-containing protein	0.004	0.0075	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.0092	0.0092
Schistosoma mansoni	hypothetical protein	0.0111	0.0882	0.0917
Schistosoma mansoni	glutaminase	0.0556	0.5928	0.6163
Mycobacterium ulcerans	hypothetical protein	0.0099	0.0744	0.0774
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0159	0.0165
Echinococcus granulosus	tumor protein p63	0.0408	0.4245	0.4414
Entamoeba histolytica	hypothetical protein	0.0043	0.0111	0.0148
Leishmania major	phosphomannose isomerase	0.0497	0.5256	0.5465
Schistosoma mansoni	lipoxygenase	0.004	0.0075	0.0078
Trypanosoma brucei	hypothetical protein, conserved	0.0862	0.9396	0.9768
Onchocerca volvulus		0.0483	0.5097	1
Leishmania major	hexokinase, putative	0.0483	0.5097	0.5299
Echinococcus multilocularis	mannose 6 phosphate isomerase	0.0497	0.5256	0.5465
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0099	0.0744	0.0774
Echinococcus multilocularis	hexokinase	0.0483	0.5097	0.5299
Brugia malayi	glucose-6-phosphate dehydrogenase	0.0882	0.9618	1
Loa Loa (eye worm)	TAR-binding protein	0.019	0.1778	0.1849
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0111	0.0115
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0697	0.7518	1
Leishmania major	macrophage migration inhibitory factor-like protein	0.0697	0.7518	0.7816
Loa Loa (eye worm)	MH2 domain-containing protein	0.0359	0.3689	0.3836
Leishmania major	hypothetical protein, conserved	0.0517	0.5484	0.5702
Trichomonas vaginalis	CAMK family protein kinase	0.0383	0.396	0.396
Brugia malayi	glutaminase DH11.1	0.0556	0.5928	0.6163
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0296	0.0307
Brugia malayi	hypothetical protein	0.004	0.0075	0.0078
Brugia malayi	RNA recognition motif domain containing protein	0.019	0.1778	0.1849
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.0092	0.0095
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0916	1	1
Onchocerca volvulus	Putative phosphomannomutase	0.0136	0.116	0.216
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0697	0.7518	0.7816
Echinococcus multilocularis	tumor protein p63	0.0408	0.4245	0.4414
Leishmania major	macrophage migration inhibitory factor-like protein	0.0697	0.7518	0.7816
Schistosoma mansoni	hypothetical protein	0.0043	0.0111	0.0115
Trichomonas vaginalis	CAMK family protein kinase	0.019	0.1768	0.1768
Onchocerca volvulus		0.0483	0.5097	1
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0099	0.0744	0.0774
Loa Loa (eye worm)	hypothetical protein	0.004	0.0075	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.019	0.1768	0.1768
Loa Loa (eye worm)	glutaminase 2	0.0556	0.5928	0.6163
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0159	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1608	0.1671
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0383	0.396	0.7736
Brugia malayi	hexokinase	0.0483	0.5097	0.5299
Loa Loa (eye worm)	hexokinase type II	0.0483	0.5097	0.5299
Loa Loa (eye worm)	phosphomannomutase 2	0.0136	0.116	0.1206
Brugia malayi	Hexokinase family protein	0.0483	0.5097	0.5299
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0697	0.7518	0.7495
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0111	0.0882	0.0917
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0111	0.0882	0.0917
Trypanosoma cruzi	hypothetical protein, conserved	0.0862	0.9396	0.9768
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0099	0.0744	0.0774
Trypanosoma brucei	phosphomannose isomerase	0.0497	0.5256	0.5465
Brugia malayi	TAR-binding protein	0.019	0.1778	0.1849
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0292	0.2932	0.3048
Plasmodium falciparum	hexokinase	0.0483	0.5097	0.5071
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0175	0.1608	0.3052
Loa Loa (eye worm)	hypothetical protein	0.006	0.0296	0.0307
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.019	0.1778	0.1849
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1778	0.1849
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0111	0.0882	0.0917
Brugia malayi	hypothetical protein	0.004	0.0075	0.0078
Trichomonas vaginalis	conserved hypothetical protein	0.0697	0.7518	0.7518
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0159	0.0165
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.0882	0.9618	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0862	0.9396	0.9768
Trichomonas vaginalis	mannose-6-phosphate isomerase, putative	0.0497	0.5256	0.5256
Echinococcus multilocularis	tar DNA binding protein	0.019	0.1778	0.1849
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0916	1	1
Echinococcus granulosus	phosphomannomutase	0.0136	0.116	0.1206
Loa Loa (eye worm)	glutaminase	0.0556	0.5928	0.6163
Brugia malayi	RNA binding protein	0.019	0.1778	0.1849
Loa Loa (eye worm)	hypothetical protein	0.0352	0.3612	0.3755
Schistosoma mansoni	mannose-6-phosphate isomerase	0.0497	0.5256	0.5465
Loa Loa (eye worm)	doublecortin family protein	0.004	0.0075	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0383	0.396	0.396
Brugia malayi	acetyltransferase, GNAT family protein	0.0142	0.1227	0.1276
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0111	0.0882	0.0917
Trypanosoma cruzi	polo-like protein kinase, putative	0.0383	0.396	0.4117
Plasmodium falciparum	phosphomannomutase, putative	0.0136	0.116	0.1114
Brugia malayi	MH2 domain containing protein	0.0359	0.3689	0.3836
Brugia malayi	latrophilin 2 splice variant baaae	0.0241	0.2348	0.2441
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.0882	0.9618	1
Trypanosoma cruzi	phosphomannomutase, putative	0.0136	0.116	0.1206
Brugia malayi	mannose-6-phosphate isomerase, class I family protein	0.0497	0.5256	0.5465
Loa Loa (eye worm)	hexokinase	0.0149	0.1314	0.1366
Brugia malayi	phosphomannomutase 2	0.0136	0.116	0.1206
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0576	0.615	0.6393
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0111	0.0115
Trichomonas vaginalis	CAMK family protein kinase	0.0383	0.396	0.396
Trypanosoma cruzi	polo-like protein kinase, putative	0.0383	0.396	0.4117
Echinococcus multilocularis	hexokinase type 2	0.0483	0.5097	0.5299
Echinococcus multilocularis	phosphomannomutase	0.0136	0.116	0.1206
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0697	0.7518	0.7499
Schistosoma mansoni	polycystin 1-related	0.004	0.0075	0.0078
Entamoeba histolytica	hexokinase 2	0.0483	0.5097	0.678
Entamoeba histolytica	hypothetical protein	0.0043	0.0111	0.0148
Giardia lamblia	Kinase, PLK	0.0383	0.396	0.396
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1778	0.1849
Loa Loa (eye worm)	acetyltransferase	0.0142	0.1227	0.1276
Loa Loa (eye worm)	hexokinase	0.0483	0.5097	0.5299
Leishmania major	hypothetical protein, conserved	0.0862	0.9396	0.9768
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.1182	0.1229
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0111	0.0882	0.0917
Echinococcus multilocularis	hexokinase	0.0483	0.5097	0.5299
Echinococcus granulosus	Polycystic kidney disease protein	0.004	0.0075	0.0078
Onchocerca volvulus		0.0483	0.5097	1
Schistosoma mansoni	hypothetical protein	0.004	0.0075	0.0078
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.0092	0.0092
Echinococcus granulosus	citrate lyase subunit beta protein	0.0099	0.0744	0.0774
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0159	0.0165
Trypanosoma cruzi	phosphomannose isomerase, putative	0.0497	0.5256	0.5465
Mycobacterium leprae	probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO	0.027	0.2675	1
Trypanosoma cruzi	Putative Phosphatase/Protein of unknown function DUF89, putative	0.0517	0.5484	0.5702
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.0882	0.9618	1
Mycobacterium ulcerans	hypothetical protein	0.0099	0.0744	0.0774
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0882	0.0917
Echinococcus granulosus	mannose 6 phosphate isomerase	0.0497	0.5256	0.5465
Plasmodium vivax	hexokinase, putative	0.0483	0.5097	0.506
Brugia malayi	Latrophilin receptor protein 2	0.0111	0.0882	0.0917
Echinococcus multilocularis	hexokinase	0.0483	0.5097	0.5299
Trichomonas vaginalis	CAMK family protein kinase	0.0383	0.396	0.396
Echinococcus granulosus	hexokinase	0.0483	0.5097	0.5299
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.0075	0.0078
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.0882	0.9618	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.0075	0.0078
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0159	0.0165
Trichomonas vaginalis	CAMK family protein kinase	0.0383	0.396	0.396
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0383	0.396	0.4117
Toxoplasma gondii	phosphomannose isomerase type I protein	0.0497	0.5256	0.5213
Plasmodium falciparum	macrophage migration inhibitory factor	0.0697	0.7518	0.7505
Entamoeba histolytica	hexokinase 1	0.0483	0.5097	0.678
Trypanosoma cruzi	hexokinase, putative	0.0483	0.5097	0.5299
Onchocerca volvulus		0.0303	0.3055	0.5935
Mycobacterium ulcerans	glutaminase	0.0556	0.5928	0.6163
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0099	0.0744	0.0744
Trichomonas vaginalis	glutaminase, putative	0.0556	0.5928	0.5928
Toxoplasma gondii	hexokinase	0.0483	0.5097	0.5052
Loa Loa (eye worm)	hypothetical protein	0.0154	0.136	0.1414
Plasmodium vivax	mannose-6-phosphate isomerase, putative	0.0497	0.5256	0.522
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0099	0.0744	0.0774
Schistosoma mansoni	hypothetical protein	0.0111	0.0882	0.0917
Trypanosoma brucei	phosphomannomutase	0.0136	0.116	0.1206
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1778	0.1849
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.0882	0.9618	1
Onchocerca volvulus	Hexokinase homolog	0.0303	0.3055	0.5935
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0159	0.0165
Schistosoma mansoni	hexokinase	0.0483	0.5097	0.5299
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0916	1	1
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1778	0.1849
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0159	0.0165
Treponema pallidum	hexokinase (hxk)	0.0483	0.5097	0.5299
Schistosoma mansoni	hypothetical protein	0.0111	0.0882	0.0917
Schistosoma mansoni	loxhd1	0.004	0.0075	0.0078

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.1689 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	1.636 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1374099

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1277847