TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 520.512 | Formula: C26H25FN6O5
H donors: 1 H acceptors: 3 LogP: 3.81 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(cc(c1OC)OC)n1nnnc1c1ccc(c(c1)N)OCC1ON=C(C1)c1ccccc1F
InChi: 1S/C26H25FN6O5/c1-34-23-11-16(12-24(35-2)25(23)36-3)33-26(29-31-32-33)15-8-9-22(20(28)10-15)37-14-17-13-21(30-38-17)18-6-4-5-7-19(18)27/h4-12,17H,13-14,28H2,1-3H3
InChiKey: TZECEAGMCXPPDJ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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
Echinococcus granulosus	NEDD8 activating enzyme E1 catalytic subunit	0.2001	1	1
Trichomonas vaginalis	sumo-1-activating enzyme E1a, putative	0.0069	0.0145	0.017
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.0086	0.0232	0.0396
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0132	0.0465	0.0325
Trypanosoma cruzi	E1-like ubiquitin-activating enzyme, putative	0.0069	0.0145	0.0486
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0166	0.0639	0.0861
Plasmodium vivax	ubiquitin activating enzyme, putative	0.0114	0.0374	0.0809
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0132	0.0465	0.156
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0086	0.0233	0.0196
Plasmodium falciparum	SUMO-activating enzyme subunit 1	0.0114	0.0374	0.0809
Trypanosoma cruzi	ubiquitin-activating enzyme E1, putative	0.0101	0.0305	0.1024
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0166	0.0639	0.0861
Trypanosoma cruzi	Ubiquitin-like modifier-activating enzyme ATG7, putative	0.0069	0.0145	0.0486
Echinococcus granulosus	ubiquitin modifier activating enzyme 6	0.0198	0.0799	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0329	0.0293
Trypanosoma brucei	E1-like ubiquitin-activating enzyme, putative	0.0069	0.0145	0.009
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0037	0.0016
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.0119	0.0082
Brugia malayi	MoeZ/MoeB domain containing protein	0.0069	0.0145	0.0145
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0132	0.0465	0.156
Brugia malayi	Adenosine kinase-like	0.0345	0.1552	0.1552
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0132	0.0465	0.156
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0132	0.0465	0.1209
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0599	0.0564
Trypanosoma cruzi	ubiquitin-activating enzyme, putative	0.0069	0.0145	0.0486
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0086	0.0232	0.0779
Trypanosoma cruzi	ubiquitin-activating enzyme, putative	0.0069	0.0145	0.0486
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0132	0.0465	0.035
Entamoeba histolytica	molybdenum cofactor synthesis protein3, putative	0.0069	0.0145	0.0026
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0086	0.0232	0.0396
Echinococcus multilocularis	ubiquitin modifier activating enzyme 1	0.0198	0.0799	0.0688
Mycobacterium tuberculosis	Possible molybdopterin biosynthesis protein MoeY	0.0069	0.0145	0.0466
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0553	0.2612	1
Trypanosoma brucei	ubiquitin-activating enzyme E1, putative	0.0111	0.0358	0.0835
Trypanosoma brucei	adenosine kinase, putative	0.0345	0.1552	0.5009
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0105	0.0329	0.0427
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.0119	0.0119
Leishmania major	NAD/FAD dependent dehydrogenase, putative	0.0069	0.0145	0.009
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0132	0.0465	0.035
Echinococcus granulosus	tumor protein p63	0.0329	0.1468	0.1366
Trypanosoma cruzi	NEDD8-activating enzyme E1 regulatory subunit, putative	0.0105	0.0329	0.1103
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0132	0.0465	0.5
Schistosoma mansoni	ubiquitin-activating enzyme E1	0.017	0.0661	0.0641
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.1445	0.7165	1
Brugia malayi	hypothetical protein	0.0158	0.0599	0.0599
Loa Loa (eye worm)	hypothetical protein	0.0345	0.1552	0.1521
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0132	0.0465	0.0465
Trypanosoma cruzi	ubiquitin-activating enzyme E1, putative	0.0133	0.0468	0.1571
Echinococcus multilocularis	SUMO activating enzyme subunit 2	0.0069	0.0145	0.0026
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0132	0.0465	0.1209
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0132	0.0465	0.0618
Echinococcus multilocularis	NEDD8 activating enzyme E1 catalytic subunit	0.2001	1	1
Entamoeba histolytica	ubiquitin-activating enzyme, putative	0.0069	0.0145	0.0026
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.008	0.0197	0.0244
Plasmodium falciparum	ubiquitin-activating enzyme	0.008	0.0197	0.0186
Brugia malayi	ThiF family protein	0.0069	0.0145	0.0145
Trichomonas vaginalis	molybdopterin biosynthesis moeb protein, putative	0.0625	0.2979	0.4139
Leishmania major	ubiquitin activating enzyme, putative	0.0069	0.0145	0.009
Trichomonas vaginalis	ubiquitin-activating enzyme E1c, putative	0.0069	0.0145	0.017
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0132	0.0465	0.0445
Plasmodium falciparum	ubiquitin-activating enzyme E1	0.0198	0.0799	0.2309
Toxoplasma gondii	ThiF family protein	0.0105	0.0329	0.0187
Schistosoma mansoni	adenosine kinase	0.0345	0.1552	0.1534
Loa Loa (eye worm)	ube1-prov protein	0.0198	0.0799	0.0765
Trypanosoma cruzi	Ubiquitin-like modifier-activating enzyme ATG7, putative	0.0069	0.0145	0.0486
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0132	0.0465	0.0618
Echinococcus granulosus	ubiquitin modifier activating enzyme ATG7	0.0069	0.0145	0.0026
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.008	0.0197	0.0244
Plasmodium vivax	ubiquitin-activating enzyme E1C, putative	0.0625	0.2979	1
Entamoeba histolytica	ubiquitin-activating enzyme, putative	0.0198	0.0799	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0145	0.0108
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0132	0.0465	0.0618
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0103	0.0315	0.0409
Echinococcus multilocularis	equilibrative nucleoside transporter protein	0.0158	0.0599	0.0486
Leishmania major	ubiquitin-activating enzyme e1, putative	0.0133	0.0468	0.122
Plasmodium vivax	ubiquitin-activating enzyme, putative	0.008	0.0197	0.0186
Giardia lamblia	Hypothetical protein	0.0158	0.0599	1
Echinococcus granulosus	equilibrative nucleoside transporter 3	0.0158	0.0599	0.0486
Brugia malayi	E1-like protein-activating enzyme Gsa7p/Apg7p containing protein	0.0069	0.0145	0.0145
Trypanosoma brucei	ubiquitin-activating enzyme E1, putative	0.0133	0.0468	0.122
Schistosoma mansoni	ubiquitin-activating enzyme E1-related	0.0069	0.0145	0.0124
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0091	0.0256	0.022
Entamoeba histolytica	ubiquitin-activating enzyme E1 1, putative	0.0166	0.0639	0.0526
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0105	0.0329	0.0427
Entamoeba histolytica	nucleoside transporter, putative	0.0158	0.0599	0.0486
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0132	0.0465	0.0445
Giardia lamblia	Ubiquitin-conjugating enzyme E1	0.0133	0.0468	0.7117
Plasmodium vivax	SUMO-activating enzyme subunit 2, putative	0.008	0.0197	0.0186
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0132	0.0465	0.0445
Echinococcus granulosus	NEDD8 activating enzyme E1 regulatory subunit	0.0105	0.0329	0.0212
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0132	0.0465	0.1297
Trypanosoma brucei	adenosine kinase, putative	0.0345	0.1552	0.5009
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0132	0.0465	0.0325
Schistosoma mansoni	hypothetical protein	0.0069	0.0145	0.0124
Toxoplasma gondii	kinase, pfkB family protein	0.0345	0.1552	0.1428
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0132	0.0465	0.156
Schistosoma mansoni	clathrin coat associated protein ap-50	0.0144	0.0529	0.0509
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0132	0.0465	0.1209
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0158	0.0599	0.0806
Trypanosoma cruzi	ubiquitin-activating enzyme-like protein	0.0069	0.0145	0.0486
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0086	0.0233	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0599	0.0564
Brugia malayi	ThiF family protein	0.0114	0.0374	0.0374
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0046	0.0024	0.0024
Echinococcus granulosus	ubiquitin modifier activating enzyme 5	0.0069	0.0145	0.0026
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0086	0.0233	0.0196
Trypanosoma cruzi	ubiquitin activating enzyme, putative	0.0625	0.2979	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0132	0.0465	0.1209
Trichomonas vaginalis	ubiquitin-activating enzyme E1 X, putative	0.0107	0.0336	0.0437
Loa Loa (eye worm)	ectopic membrane ruffles in embryo protein 1	0.2001	1	1
Mycobacterium tuberculosis	Probable molybdenum cofactor biosynthesis protein MoeB2 (MPT-synthase sulfurylase) (molybdopterin synthase sulphurylase)	0.0069	0.0145	0.0466
Trypanosoma brucei	NEDD8-activating enzyme E1 regulatory subunit, putative	0.0105	0.0329	0.0733
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0086	0.0233	0.0293
Onchocerca volvulus	Equilibrative nucleoside transporter, putative homolog	0.0158	0.0599	0.4277
Entamoeba histolytica	ThiF family protein	0.0105	0.0329	0.0212
Entamoeba histolytica	ubiquitin-activating enzyme, putative	0.2001	1	1
Trypanosoma brucei	Ubiquitin-like modifier-activating enzyme ATG7, putative	0.0069	0.0145	0.009
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0132	0.0465	0.035
Echinococcus multilocularis	ubiquitin modifier activating enzyme 6	0.0198	0.0799	0.0688
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0132	0.0465	0.156
Plasmodium falciparum	NEDD8-activating enzyme E1 catalytic subunit, putative	0.0625	0.2979	1
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0553	0.2612	1
Brugia malayi	ThiF family protein	0.0105	0.0329	0.0329
Echinococcus granulosus	adenylyltransferase and sulfurtransferase	0.0069	0.0145	0.0026
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0132	0.0465	0.0618
Trypanosoma cruzi	ubiquitin activating enzyme, putative	0.0069	0.0145	0.0486
Schistosoma mansoni	clathrin coat associated protein ap-50	0.0144	0.0529	0.0509
Entamoeba histolytica	HesA/MoeB/ThiF family protein, putative	0.0069	0.0145	0.0026
Schistosoma mansoni	app binding protein	0.0105	0.0329	0.0308
Echinococcus granulosus	sumo-activating enzyme subunit 2	0.0069	0.0145	0.0026
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0086	0.0233	0.0293
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0158	0.0599	0.0806
Echinococcus granulosus	SUMO activating enzyme subunit 1	0.0114	0.0374	0.0258
Trypanosoma cruzi	adenosine kinase, putative	0.0345	0.1552	0.5209
Loa Loa (eye worm)	ThiF family protein	0.008	0.0197	0.0161
Onchocerca volvulus	Equilibrative nucleoside transporter, putative homolog	0.0158	0.0599	0.4277
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0119	0.0399
Trypanosoma cruzi	molybdopterin synthase sulphurylase-like protein, putative	0.0069	0.0145	0.0486
Trichomonas vaginalis	molybdopterin biosynthesis moeb protein, putative	0.0069	0.0145	0.017
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0119	0.0399
Mycobacterium leprae	POSSIBLE MOLYBDOPTERIN BIOSYNTHESIS PROTEIN MOEY	0.0069	0.0145	1
Leishmania major	ubiquitin-activating enzyme-like protein	0.0069	0.0145	0.009
Trichomonas vaginalis	ubiquitin-activating enzyme E1c, putative	0.0166	0.0639	0.0861
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.008	0.0197	0.0244
Brugia malayi	CG1749-PA	0.0069	0.0145	0.0145
Leishmania major	ubiquitin activating enzyme, putative	0.0625	0.2979	1
Echinococcus multilocularis	equilibrative nucleoside transporter 3	0.0131	0.0459	0.0344
Trichomonas vaginalis	autophagy protein, putative	0.0069	0.0145	0.017
Echinococcus multilocularis	tumor protein p63	0.0329	0.1468	0.1366
Echinococcus multilocularis	adenosine kinase	0.0345	0.1552	0.145
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0132	0.0465	0.156
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0132	0.0465	0.1209
Trypanosoma brucei	ubiquitin activating enzyme, putative	0.0069	0.0145	0.009
Toxoplasma gondii	NEDD8-activating enzyme E1 catalytic subunit	0.2001	1	1
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0158	0.0599	0.0806
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0132	0.0465	0.0445
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0086	0.0232	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0145	0.0108
Trypanosoma cruzi	adenosine kinase, putative	0.0345	0.1552	0.5209
Echinococcus granulosus	adenosine kinase	0.0345	0.1552	0.145
Trichomonas vaginalis	ubiquitin-activating enzyme E1b, putative	0.0069	0.0145	0.017
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0086	0.0233	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0233	0.0196
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0132	0.0465	0.156
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0069	0.0145	0.017
Trypanosoma brucei	ubiquitin-activating enzyme E1, putative	0.0069	0.0145	0.009
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0132	0.0465	0.5
Loa Loa (eye worm)	ubiquitin-activating enzyme 5	0.0069	0.0145	0.0108
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0091	0.0256	0.022
Toxoplasma gondii	ThiF family protein	0.008	0.0197	0.0054
Trypanosoma brucei	ubiquitin-activating enzyme E1, putative	0.0069	0.0145	0.009
Leishmania major	adenosine kinase, putative	0.0345	0.1552	0.5009
Echinococcus multilocularis	ubiquitin modifier activating enzyme 5	0.0069	0.0145	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0599	0.0564
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0132	0.0465	0.0618
Entamoeba histolytica	autophagy protein apg7, putative	0.0069	0.0145	0.0026
Toxoplasma gondii	hypothetical protein	0.0114	0.0374	0.0233
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0132	0.0465	0.5
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0374	0.0339
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0132	0.0465	0.1129
Echinococcus multilocularis	SUMO activating enzyme subunit 1	0.0114	0.0374	0.0258
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0132	0.0465	0.7045
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0132	0.0465	0.035
Echinococcus granulosus	ubiquitin modifier activating enzyme 1	0.0198	0.0799	0.0688
Echinococcus multilocularis	adenylyltransferase and sulfurtransferase	0.0069	0.0145	0.0026
Leishmania major	hypothetical protein, conserved	0.0105	0.0329	0.0733
Schistosoma mansoni	ubiquitin-activating enzyme E1	0.0069	0.0145	0.0124
Echinococcus multilocularis	equilibrative nucleoside transporter 3	0.0158	0.0599	0.0486
Trypanosoma cruzi	ubiquitin-activating enzyme E1, putative	0.0133	0.0468	0.1571
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.0119	0.0098
Trypanosoma brucei	NEDD8 activating enzyme subunit, putative	0.0625	0.2979	1
Schistosoma mansoni	adenosine kinase	0.0345	0.1552	0.1534
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0132	0.0465	0.035
Schistosoma mansoni	ubiquitin-activating enzyme E1b	0.0069	0.0145	0.0124
Mycobacterium leprae	PROBABLE MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN MOEB1 (MPT-SYNTHASE SULFURYLASE) (MOLYBDOPTERIN SYNTHASE SULPHURYLASE)	0.0069	0.0145	1
Trypanosoma cruzi	E1-like ubiquitin-activating enzyme, putative	0.0069	0.0145	0.0486
Schistosoma mansoni	ubiquitin-activating enzyme E1C	0.2001	1	1
Leishmania major	ubiquitin-activating enzyme, putative	0.0069	0.0145	0.009
Mycobacterium tuberculosis	Possible molybdopterin biosynthesis protein MoeW	0.0069	0.0145	0.0466
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0114	0.0374	0.0354
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0158	0.0599	0.0806
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0132	0.0465	0.035
Trypanosoma cruzi	ubiquitin activating enzyme, putative	0.0625	0.2979	1
Leishmania major	ubiquitin-activating enzyme e1, putative	0.0111	0.0358	0.0835
Brugia malayi	Nucleoside transporter family protein	0.0158	0.0599	0.0599
Echinococcus multilocularis	NEDD8 activating enzyme E1 regulatory subunit	0.0105	0.0329	0.0212
Trypanosoma brucei	molybdopterin synthase sulphurylase protein, putative	0.0069	0.0145	0.009
Entamoeba histolytica	ubiquitin-activating enzyme, putative	0.008	0.0197	0.0079
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0132	0.0465	0.035
Trypanosoma brucei	ubiquitin activating enzyme, putative	0.0069	0.0145	0.009
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0086	0.0232	0.1927
Echinococcus granulosus	equilibrative nucleoside transporter	0.0158	0.0599	0.0486
Brugia malayi	ube1-prov protein	0.0198	0.0799	0.0799
Echinococcus multilocularis	ubiquitin modifier activating enzyme ATG7	0.0069	0.0145	0.0026
Trypanosoma cruzi	ubiquitin activating enzyme, putative	0.0069	0.0145	0.0486
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0132	0.0465	0.1129
Onchocerca volvulus		0.0306	0.1351	1
Leishmania major	ubiquitin activating E1 enzyme, putative	0.0069	0.0145	0.009

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 3.19 %	Cell cycle arrest in human A549 cells assessed as accumulation at G0 phase at 2 uM after 24 hrs using propidium iodide staining by flow cytometer analysis (Rvb = 0.56%)	ChEMBL.	No reference
IC50 (functional)	= 1.49 uM	Cytotoxicity against human A549 cells after 48 hrs by MTT assay	ChEMBL.	No reference
Inhibition (binding)	= 92 %	Displacement of [3H]-colchicine from purified bovine brain tubulin at 5 uM after 1 hr by scintillation proximity assay	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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.

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External resources for this compound

ChEMBL: CHEMBL3219375

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1849623