TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 661.026 | Formula: C34H24ClF3N4O5
H donors: 4 H acceptors: 4 LogP: 6.45 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: ClC[C@@H]1CN(c2c1c1c(C(=O)OC)c([nH]c1c(c2)O)C(F)(F)F)C(=O)c1cc2c([nH]1)ccc(c2)NC(=O)c1ccc2c(c1)cccc2
InChi: 1S/C34H24ClF3N4O5/c1-47-33(46)28-27-26-20(14-35)15-42(24(26)13-25(43)29(27)41-30(28)34(36,37)38)32(45)23-12-19-11-21(8-9-22(19)40-23)39-31(44)18-7-6-16-4-2-3-5-17(16)10-18/h2-13,20,40-41,43H,14-15H2,1H3,(H,39,44)/t20-/m1/s1
InChiKey: NSCXLBOARAUKIR-HXUWFJFHSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	Sugar transporter family protein	0.0015	0.0076	0.0178
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0059	0.1096	0.245
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0059	0.1096	0.245
Trichomonas vaginalis	ABC transporter, putative	0.0195	0.424	1
Schistosoma mansoni	protein kinase	0.0032	0.0477	0.1122
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0061	0.1145	1
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0444	1	1
Echinococcus granulosus	solute carrier family 22	0.0015	0.0076	0.0179
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0195	0.424	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0061	0.1145	1
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0061	0.1145	0.1145
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0061	0.1145	0.1742
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0076	0.0075
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0195	0.424	1
Trichomonas vaginalis	ABC transporter, putative	0.0195	0.424	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0195	0.424	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0019	0.0172	0.0406
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0276	0.0649
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0582	0.473
Leishmania major	ABC-thiol transporter	0.0061	0.1145	0.27
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0486	0.1145
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0194	0.045
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0582	0.137
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0486	0.3834
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Schistosoma mansoni	glucose transport protein	0.0105	0.2154	0.508
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0061	0.1145	0.2701
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0061	0.1145	0.1077
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0019	0.0172	0.0406
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0019	0.0172	0.0405
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0276	0.1868
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.1096	0.245
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0076	0.0178
Brugia malayi	ABC transporter family protein	0.0061	0.1145	0.27
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0462	0.1087
Entamoeba histolytica	P-glycoprotein 6, putative	0.0061	0.1145	0.2193
Echinococcus multilocularis	ATP binding cassette sub family B	0.0061	0.1145	0.2701
Trichomonas vaginalis	ABC transporter, putative	0.0195	0.424	1
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0061	0.1145	0.27
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0019	0.0172	0.0405
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0011	0.0001	0.0002
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0061	0.1145	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0477	0.0725
Brugia malayi	Cam kinase protein 1	0.0032	0.0477	0.1122
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0169	0.3644	0.5547
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0061	0.1145	0.2568
Loa Loa (eye worm)	hypothetical protein	0.0195	0.424	1
Echinococcus granulosus	hyperpolarization activated cyclic	0.0019	0.0172	0.0406
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0582	0.473
Brugia malayi	hypothetical protein	0.0015	0.0076	0.0178
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0486	0.3834
Loa Loa (eye worm)	sugar transporter	0.0105	0.2154	0.508
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0276	0.048
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3527	0.8318
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0195	0.424	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0462	0.0468
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0061	0.1145	1
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0462	0.1087
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1096	0.2584
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0061	0.1145	0.27
Brugia malayi	Sugar transporter family protein	0.0105	0.2154	0.508
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2154	0.5081
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0136	0.288	0.6734
Echinococcus granulosus	sodium channel protein	0.0078	0.1528	0.3604
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0076	0.0179
Plasmodium vivax	ABC transporter B family member 3, putative	0.0061	0.1145	0.1077
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0486	0.3834
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1096	0.2584
Leishmania major	glucose transporter, lmgt1	0.0032	0.0486	0.1145
Plasmodium vivax	ABC transporter B family member 4, putative	0.0061	0.1145	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3527	0.8318
Toxoplasma gondii	ABC transporter family protein	0.0061	0.1145	0.1742
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0019	0.0172	0.0405
Brugia malayi	ABC transporter family protein	0.0061	0.1145	0.27
Toxoplasma gondii	facilitative glucose transporter GT1	0.0105	0.2154	0.3279
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0061	0.1145	0.27
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0195	0.424	1
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0477	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0061	0.1145	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0195	0.424	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Entamoeba histolytica	P-glycoprotein-2	0.0195	0.424	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0061	0.1145	1
Brugia malayi	ABC transporter family protein	0.0195	0.424	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0477	0.1124
Brugia malayi	multidrug resistance related protein 1	0.0061	0.1145	0.27
Schistosoma mansoni	protein kinase	0.0032	0.0477	0.1122
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0019	0.0172	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1145	0.27
Brugia malayi	ABC transporter family protein	0.0061	0.1145	0.27
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0195	0.424	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0061	0.1145	0.1742
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0076	0.15	0.3537
Giardia lamblia	Hypothetical protein	0.0059	0.1096	0.9541
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0276	0.1868
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0462	0.0926
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0276	0.0649
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0019	0.0172	0.0405
Echinococcus granulosus	cGMP dependent protein kinase	0.0011	0.0001	0.0002
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0076	0.0178
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0061	0.1145	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0486	0.3834
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0076	0.0179
Schistosoma mansoni	hypothetical protein	0.0105	0.2154	0.508
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0078	0.1528	0.3603
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0195	0.424	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Echinococcus granulosus	ATP binding cassette sub family B	0.0061	0.1145	0.2701
Leishmania major	hypothetical protein, conserved	0.0015	0.0076	0.0178
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0061	0.1145	0.2695
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0061	0.1145	0.1742
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0061	0.1145	0.1145
Echinococcus granulosus	solute carrier family 22	0.0015	0.0076	0.0179
Echinococcus multilocularis	ATP binding cassette sub family B	0.0061	0.1145	0.2701
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0061	0.1145	0.1145
Schistosoma mansoni	glucose transporter	0.0015	0.0076	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0477	0.1122
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0061	0.1145	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0061	0.1145	0.2701
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0061	0.1145	0.27
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0076	0.0115
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0486	0.3834
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0019	0.0172	0.0406
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0195	0.424	1
Brugia malayi	hypothetical protein	0.0061	0.1145	0.27
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0019	0.0172	0.0406
Schistosoma mansoni	voltage-gated potassium channel	0.0019	0.0172	0.0405
Loa Loa (eye worm)	ABC transporter	0.0061	0.1145	0.27
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0019	0.0172	0.0231
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0486	0.0984
Brugia malayi	ABC transporter transmembrane region family protein	0.0061	0.1145	0.27
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2154	0.5081
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0477	0.0404
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0195	0.424	1
Onchocerca volvulus		0.0195	0.424	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0195	0.424	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0195	0.424	1
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0061	0.1145	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0195	0.424	1
Giardia lamblia	ABC transporter, putative	0.0061	0.1145	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0061	0.1145	0.2193
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0462	0.1087
Brugia malayi	ABC transporter transmembrane region family protein	0.0061	0.1145	0.27
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0582	0.137
Loa Loa (eye worm)	ABC transporter	0.0061	0.1145	0.27
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0076	0.0178
Plasmodium vivax	multidrug resistance protein 1, putative	0.0195	0.424	0.4196
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0011	0.0001	0.0002
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0276	0.0649
Toxoplasma gondii	hypothetical protein	0.0164	0.3527	0.5369
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0276	0.0419
Plasmodium falciparum	protein kinase 7	0.0296	0.6569	0.6568
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0276	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0462	0.1087
Loa Loa (eye worm)	hypothetical protein	0.0193	0.4191	0.9884
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0276	0.1868
Toxoplasma gondii	ABC transporter, putative	0.0061	0.1145	0.1742
Leishmania major	protein kinase, putative	0.0032	0.0477	0.1122
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0076	0.0179
Plasmodium falciparum	multidrug resistance protein 2	0.0061	0.1145	0.1145
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0019	0.0172	0.0405
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0193	0.4191	0.9884
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0477	0.0476
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0061	0.1145	1
Entamoeba histolytica	P-glycoprotein-1	0.0195	0.424	1
Schistosoma mansoni	multidrug resistance protein	0.0195	0.424	1
Echinococcus granulosus	multidrug resistance protein 1	0.0136	0.288	0.6792
Schistosoma mansoni	multidrug resistance protein	0.0061	0.1145	0.27
Trichomonas vaginalis	abcb9, putative	0.0195	0.424	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0025	0.0324	0.0763
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0276	0.1868
Giardia lamblia	Multidrug resistance-associated protein 1	0.0061	0.1145	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0486	0.3834
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0172	0.0405
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0195	0.424	1
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0169	0.3644	0.3595
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0061	0.1145	0.2695
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0477	0.1124
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Schistosoma mansoni	voltage-gated potassium channel	0.0025	0.0324	0.0763
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0486	0.3834
Schistosoma mansoni	voltage-gated potassium channel	0.0025	0.0324	0.0763
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0061	0.1145	0.27
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0067	0.1282	0.2896
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0019	0.0172	0.0406
Loa Loa (eye worm)	sugar transporter	0.0015	0.0076	0.0178
Schistosoma mansoni	multidrug resistance protein	0.0061	0.1145	0.27
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0195	0.424	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0477	0.0404
Echinococcus granulosus	multidrug resistance protein 1	0.0195	0.424	1
Plasmodium falciparum	multidrug resistance protein 1	0.0195	0.424	0.424
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0061	0.1145	0.2193
Echinococcus granulosus	hyperpolarization activated cyclic	0.0019	0.0172	0.0406
Plasmodium vivax	multidrug resistance protein 2, putative	0.0061	0.1145	0.1077
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0061	0.1145	0.27
Brugia malayi	hypothetical protein	0.0015	0.0076	0.0178
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0195	0.424	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0477	0.1124
Trypanosoma cruzi	hexose transporter	0.0032	0.0486	0.3834
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0076	0.0179
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0194	0.045
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2154	0.5081
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0061	0.1145	0.1145
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0195	0.424	1
Loa Loa (eye worm)	hypothetical protein	0.0195	0.424	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0076	0.15	0.3536
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0076	0.0179
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0034	0.0078
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0059	0.1096	0.2584
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0486	0.0984
Schistosoma mansoni	multidrug resistance protein	0.0195	0.424	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1281	0.302
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0061	0.1145	0.27
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0061	0.1145	0.1742
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.0431	0.1016
Plasmodium vivax	proline--tRNA ligase, putative	0.0037	0.0582	0.051
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0061	0.1145	1
Echinococcus granulosus	multidrug resistance protein 1	0.0195	0.424	1
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0486	0.0984
Echinococcus multilocularis		0.0061	0.1145	0.2701
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0025	0.0324	0.0765
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0486	0.3834
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0486	0.3834
Schistosoma mansoni	multidrug resistance protein	0.0061	0.1145	0.27
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0019	0.0172	0.0231
Entamoeba histolytica	protein kinase, putative	0.0032	0.0477	0.0506
Entamoeba histolytica	P-glycoprotein-5	0.0195	0.424	1
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0486	0.3834
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0477	0.0962
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0477	0.3746
Leishmania major	pentamidine resistance protein 1	0.0061	0.1145	0.27
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0486	0.0984
Echinococcus granulosus	multidrug resistance associated protein 1	0.0061	0.1145	0.2701
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0486	0.3834
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0061	0.1145	0.27
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0477	0.1124
Schistosoma mansoni	sugar transporter	0.0015	0.0076	0.0178
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0486	0.3834
Schistosoma mansoni	multidrug resistance protein	0.0059	0.1096	0.2584
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0061	0.1145	1
Schistosoma mansoni	multidrug resistance protein	0.0195	0.424	1
Echinococcus multilocularis	sodium channel protein	0.0078	0.1528	0.3604
Schistosoma mansoni	protein kinase	0.0032	0.0477	0.1122
Entamoeba histolytica	P-glycoprotein 5, putative	0.0195	0.424	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0061	0.1145	0.1742
Entamoeba histolytica	P-glycoprotein-2	0.0195	0.424	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0019	0.0172	0.0406
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0195	0.424	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0195	0.424	0.6455
Echinococcus multilocularis	ATP binding cassette sub family B	0.0061	0.1145	0.2701
Plasmodium vivax	ABC transporter B family member 7, putative	0.0061	0.1145	0.1077
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0164	0.3527	0.8318
Brugia malayi	ABC transporter transmembrane region family protein	0.0059	0.1096	0.2584
Echinococcus granulosus	voltage gated potassium channel	0.0025	0.0324	0.0765
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0061	0.1145	0.1077
Giardia lamblia	MRP-like ABC transporter	0.0061	0.1145	1
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0486	0.0984
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0061	0.1145	1
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0076	0.0171
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0477	0.0404
Echinococcus multilocularis	expressed conserved protein	0.0011	0.0001	0.0002
Echinococcus multilocularis	General substrate transporter	0.009	0.1814	0.4279
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0076	0.0115
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2154	0.5081
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0061	0.1145	0.1145
Schistosoma mansoni	sugar transporter	0.0015	0.0076	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1145	0.27
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0078	0.1528	0.3604
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2154	0.5081
Schistosoma mansoni	multidrug resistance protein	0.0061	0.1145	0.27
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0582	0.473
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0477	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0477	0.1124
Echinococcus multilocularis	ATP binding cassette sub family B	0.0061	0.1145	0.2701
Schistosoma mansoni	multidrug resistance protein	0.0061	0.1145	0.27
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0061	0.1145	0.2701
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0019	0.0172	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0462	0.2809
Echinococcus granulosus	solute carrier family 22	0.0015	0.0076	0.0179
Brugia malayi	major facilitator superfamily protein	0.0015	0.0076	0.0178
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0477	0.1122
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0076	0.0178
Plasmodium vivax	hexose transporter	0.0105	0.2154	0.2094
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0076	0.0171
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0061	0.1145	0.1742
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0061	0.1145	0.27
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0061	0.1145	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0195	0.424	0.6455
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0477	0.1122
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0025	0.0324	0.0765
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0462	0.1087
Entamoeba histolytica	P-glycoprotein 6, putative	0.0061	0.1145	0.2193
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0477	0.0476
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0195	0.424	1
Schistosoma mansoni	sugar transporter	0.0015	0.0076	0.0178
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0477	0.0404
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0076	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3527	0.8318
Trichomonas vaginalis	ABC transporter, putative	0.0195	0.424	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0136	0.288	0.6792
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0059	0.1096	0.245
Entamoeba histolytica	ABC transporter, putative	0.0061	0.1145	0.2193
Loa Loa (eye worm)	ABC transporter	0.0061	0.1145	0.27
Trypanosoma brucei	p-glycoprotein	0.0061	0.1145	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0061	0.1145	1
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0061	0.1145	0.1145
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0061	0.1145	0.1742
Brugia malayi	major facilitator superfamily protein	0.0015	0.0076	0.0178
Schistosoma mansoni	glucose transport protein	0.0105	0.2154	0.508
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0486	0.3834
Giardia lamblia	Multidrug resistance-associated protein 1	0.0059	0.1096	0.9541
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0486	0.3834
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0061	0.1145	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0195	0.424	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0019	0.0172	0.0405
Leishmania major	glucose transporter, lmgt2	0.0032	0.0486	0.1145
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0462	0.1087
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Plasmodium vivax	ABC transporter B family member 5, putative	0.0061	0.1145	0.1077
Schistosoma mansoni	voltage-gated potassium channel	0.0083	0.1652	0.3895
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0195	0.424	1
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0276	0.0856
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0195	0.424	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0037	0.0582	0.0885
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0076	0.0178
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0076	0.0178
Entamoeba histolytica	P-glycoprotein-2, putative	0.0195	0.424	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0325	0.0766
Brugia malayi	multidrug resistance protein 3	0.0195	0.424	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0195	0.424	1
Toxoplasma gondii	protein kinase, putative	0.0296	0.6569	1
Trichomonas vaginalis	taga, putative	0.0195	0.424	1
Brugia malayi	P-glycoprotein-like protein	0.0061	0.1145	0.27
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0324	0.0763
Brugia malayi	ABC transporter	0.0061	0.1145	0.27
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0477	0.0725
Echinococcus granulosus	multidrug resistance protein 1	0.0195	0.424	1
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0486	0.0984
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0061	0.1145	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0195	0.424	1
Schistosoma mansoni	smdr2	0.0195	0.424	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0477	0.1122
Trichomonas vaginalis	abcb9, putative	0.0195	0.424	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0195	0.424	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0276	0.0649
Leishmania major	glucose transporter, lmgt3	0.0032	0.0486	0.1145
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0276	0.0275
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0067	0.1282	0.2896
Entamoeba histolytica	hypothetical protein	0.0061	0.1145	0.2193
Entamoeba histolytica	P-glycoprotein 5, putative	0.0059	0.1096	0.2069
Giardia lamblia	Multidrug resistance-associated protein Mrp2	0.0059	0.1096	0.9541
Leishmania major	p-glycoprotein e	0.0061	0.1145	0.27
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0061	0.1145	0.2193
Schistosoma mansoni	sugar transporter	0.0015	0.0076	0.0178
Echinococcus multilocularis	ATP binding cassette sub family B	0.0193	0.4191	0.9884
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0477	0.1124
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.0431	0.1016
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0076	0.0115
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0011	0.0001	0.0002
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0195	0.424	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0195	0.424	1
Leishmania major	p-glycoprotein	0.0195	0.424	1
Brugia malayi	hypothetical protein	0.0015	0.0076	0.0178
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0061	0.1145	0.2193
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0076	0.0179
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0486	0.3834
Plasmodium falciparum	hexose transporter	0.0105	0.2154	0.2154
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0195	0.424	1
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0146	0.0654
Echinococcus granulosus	multidrug resistance associated protein 7	0.0061	0.1145	0.2701
Brugia malayi	ABC transporter	0.0059	0.1096	0.2584
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0061	0.1145	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0195	0.424	1
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0076	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1145	0.27
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0195	0.424	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0076	0.0178
Echinococcus granulosus	ATP binding cassette sub family B	0.0059	0.1096	0.2585
Schistosoma mansoni	60S ribosomal protein L21	0.0016	0.0106	0.0248
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0486	0.0984
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0019	0.0172	0.0406
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0061	0.1145	1
Echinococcus multilocularis	voltage gated potassium channel	0.0025	0.0324	0.0765
Schistosoma mansoni	smdr1	0.0061	0.1145	0.27
Schistosoma mansoni	voltage-gated potassium channel	0.0083	0.1652	0.3895
Entamoeba histolytica	multidrug resistance protein, putative	0.0061	0.1145	0.2193
Entamoeba histolytica	P-glyco protein 6, putative	0.0195	0.424	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0076	0.15	0.3536
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0462	0.1088
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0477	0.0476
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0195	0.424	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0477	0.1124
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0486	0.3834
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0462	0.1088
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0195	0.424	1
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0477	0.1122
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0276	0.065
Schistosoma mansoni	glucose transport protein	0.0105	0.2154	0.508
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0276	0.1868
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0195	0.424	1
Trichomonas vaginalis	abcb9, putative	0.0195	0.424	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0477	0.1124
Plasmodium vivax	ABC transporter B family member 6, putative	0.0061	0.1145	0.1077
Plasmodium falciparum	proline--tRNA ligase	0.0037	0.0582	0.0581
Echinococcus granulosus	solute carrier family 22	0.0015	0.0076	0.0179
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0011	0.0001	0.0002
Entamoeba histolytica	protein kinase, putative	0.0032	0.0477	0.0506
Echinococcus multilocularis	multidrug resistance protein 1	0.0195	0.424	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0195	0.424	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0076	0.15	0.3537
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0169	0.3644	0.3643
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2154	0.5081
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2154	0.5081
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0019	0.0172	0.0405
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0105	0.2154	0.5081
Echinococcus granulosus	General substrate transporter	0.009	0.1814	0.4279
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0076	0.0179
Trichomonas vaginalis	conserved hypothetical protein	0.0105	0.2154	0.4991
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0276	0.065
Schistosoma mansoni	voltage-gated potassium channel	0.0016	0.0106	0.0248
Echinococcus granulosus	multidrug resistance protein 1	0.0136	0.288	0.6792
Brugia malayi	Sugar transporter family protein	0.0015	0.0076	0.0178
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0462	0.3605
Loa Loa (eye worm)	multidrug resistance protein 3	0.0195	0.424	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0195	0.424	1
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0019	0.0172	0.0406
Entamoeba histolytica	P-glycoprotein-2, putative	0.0059	0.1096	0.2069
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0061	0.1145	0.1145
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0061	0.1145	0.27
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0178
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0209	0.032
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0477	0.0476
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0195	0.424	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0276	0.0649
Trypanosoma brucei	multidrug resistance protein E	0.0061	0.1145	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.22 ng ml-1	Conentration required to inhibit the growth of HeLaS3 human uterine cervix carcinoma cells by 50%	ChEMBL.	10212131
IC50 (functional)	= 0.22 ng ml-1	Conentration required to inhibit the growth of HeLaS3 human uterine cervix carcinoma cells by 50%	ChEMBL.	10212131
TGI (functional)	= 84 %	In vivo antitumor activity of the compound (0.5 mg/Kg) is the measure of tumor growth inhibition of colon 26 murine adrenocarcinoma cells.	ChEMBL.	10212131
TGI (functional)	= 84 %	In vivo antitumor activity of the compound (0.5 mg/Kg) is the measure of tumor growth inhibition of colon 26 murine adrenocarcinoma cells.	ChEMBL.	10212131

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	10212131

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: CHEMBL285210

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 45423