TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 495.526 | Formula: C29H25N3O5
H donors: 1 H acceptors: 4 LogP: 2.81 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc5c(c4cc3Cn1c2=O)CN(CO5)c1ccccc1C
InChi: 1S/C29H25N3O5/c1-3-29(35)21-11-24-26-17(12-32(24)27(33)20(21)14-36-28(29)34)10-18-19-13-31(23-7-5-4-6-16(23)2)15-37-25(19)9-8-22(18)30-26/h4-11,35H,3,12-15H2,1-2H3/t29-/m0/s1
InChiKey: KGAFJSSKAQIRJF-LJAQVGFWSA-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
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Giardia lamblia	Prolyl-tRNA synthetase	0.0032	0.0582	1
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	0.471
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium falciparum	hexose transporter	0.0106	0.2253	0.2253
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0119	0.2978
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.0552	0.2448
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0676	0.0676
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0171	0.3724	0.5632
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0676	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0399	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0676	0.2999
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0676	0.134
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0037	0.0701	0.106
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Leishmania major	glucose transporter, lmgt3	0.0033	0.0606	0.8651
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0676	0.2999
Schistosoma mansoni	glucose transport protein	0.0106	0.2253	1
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium vivax	proline--tRNA ligase, putative	0.0037	0.0701	0.0701
Trypanosoma cruzi	hexose transporter, putative	0.0015	0.0201	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0582	0.2583
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0318	0.0631
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.027	0.386
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0597	0.8517
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	1
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0676	0.134
Schistosoma mansoni	hypothetical protein	0.0106	0.2253	1
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0201	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Toxoplasma gondii	protein kinase, putative	0.0299	0.6612	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0106	0.2253	0.3408
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0676	0.2999
Trichomonas vaginalis	esterase, putative	0.0036	0.0676	0.2999
Mycobacterium ulcerans	lipase LipD	0.0036	0.0676	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0676	0.134
Brugia malayi	beta-lactamase family protein	0.0036	0.0676	0.2999
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0106	0.2253	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0676	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0201	0.298
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0676	0.2999
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0597	0.0597
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0597	0.0597
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0582	0.2583
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0676	0.134
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0676	0.2999
Brugia malayi	Sugar transporter family protein	0.0106	0.2253	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0676	0.134
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0597	0.0597
Schistosoma mansoni	glucose transport protein	0.0106	0.2253	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0597	0.0903
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0582	0.2583
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0676	0.2999
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.5689
Leishmania major	glucose transporter, lmgt2	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0597	0.0597
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0597	0.2648
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0597	0.2648
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0676	0.134
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0676	0.2999
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.5689
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0201	0.0201
Chlamydia trachomatis	lysine--tRNA ligase	0.0024	0.0399	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Leishmania major	hypothetical protein, conserved	0.0036	0.0676	0.9645
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Loa Loa (eye worm)	sugar transporter	0.0015	0.0201	0.0894
Mycobacterium ulcerans	sugar transporter	0.0015	0.0201	0.298
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0597	0.2648
Schistosoma mansoni	protein kinase	0.0032	0.0597	0.2648
Plasmodium vivax	sugar transporter, putative	0.0015	0.0201	0.0201
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0597	0.0597
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0676	0.134
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0036	0.0676	1
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Entamoeba histolytica	protein kinase, putative	0.0032	0.0597	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0676	0.2999
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0201	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	1
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0201	0.298
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0032	0.0582	0.2583
Trypanosoma brucei	sugar transporter, putative	0.0015	0.0201	0.2874
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0597	0.2648
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0399	0.1769
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0676	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0024	0.0399	0.5899
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0676	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0201	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	beta-lactamase	0.0036	0.0676	0.2999
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0036	0.0676	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0032	0.0582	0.9752
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0676	0.2999
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.1769
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0399	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0582	0.2583
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0676	0.2999
Leishmania major	protein kinase, putative	0.0032	0.0597	0.8517
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0676	0.2999
Brugia malayi	lysyl-tRNA synthetase	0.0024	0.0399	0.1769
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.5042	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0676	0.2999
Toxoplasma gondii	ABC1 family protein	0.0036	0.0676	0.1022
Trypanosoma brucei	glucose transporter 2A	0.0033	0.0606	0.8651
Trypanosoma cruzi	glucose transporter, putative	0.0015	0.0201	0.2874
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Schistosoma mansoni	protein kinase	0.0032	0.0597	0.2648
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0676	0.9645
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0597	0.2648
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0032	0.0582	0.2583
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0676	0.2999
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0676	0.134
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0676	0.2999
Trypanosoma cruzi	sugar transporter, putative	0.0015	0.0201	0.2874
Plasmodium falciparum	lysine--tRNA ligase	0.0024	0.0399	0.0399
Echinococcus multilocularis	lysyl tRNA synthetase	0.0024	0.0399	0.1769
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	Cam kinase protein 1	0.0032	0.0597	0.2648
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0597	0.0597
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0201	0.298
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0582	0.2583
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Leishmania major	hypothetical protein, conserved	0.0015	0.0201	0.2874
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0119	0.1756
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0676	0.134
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0171	0.3724	0.3724
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0701	1
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0119	1
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0894
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0597	0.0903
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0399	0.5899
Echinococcus granulosus	General substrate transporter	0.0091	0.1918	0.851
Schistosoma mansoni	glucose transport protein	0.0106	0.2253	1
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	0.0631
Brugia malayi	beta-lactamase family protein	0.0036	0.0676	0.2999
Schistosoma mansoni	protein kinase	0.0032	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Plasmodium falciparum	protein kinase 7	0.0299	0.6612	0.6612
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Toxoplasma gondii	lysine-tRNA ligase	0.0024	0.0399	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0676	0.2999
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Leishmania major	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.5689
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trypanosoma brucei	glucose transporter 1E	0.0033	0.0606	0.8651
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Echinococcus multilocularis	General substrate transporter	0.0091	0.1918	0.851
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.2874
Trichomonas vaginalis	sugar transport protein, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0894
Leishmania major	glucose transporter, lmgt1	0.0033	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0676	0.2999
Echinococcus granulosus	lysyl tRNA synthetase	0.0024	0.0399	0.1769
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0201	0.0894
Giardia lamblia	Sugar-proton symporter	0.0015	0.0201	0.346
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0701	1
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0032	0.0582	0.8612
Entamoeba histolytica	protein kinase, putative	0.0032	0.0597	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0676	0.9645
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0201	0.0305
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0676	1
Plasmodium vivax	lysine--tRNA ligase, putative	0.0024	0.0399	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0676	1
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0597	0.0597
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0582	0.2583
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.016	0.0709
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Giardia lamblia	Lysyl-tRNA synthetase	0.0024	0.0399	0.6849
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0201	0.0894
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0597	0.0903
Onchocerca volvulus		0.0036	0.0676	1
Plasmodium falciparum	proline--tRNA ligase	0.0037	0.0701	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0201	0.0399
Entamoeba histolytica	hypothetical protein	0.0024	0.0399	0.6679
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0449	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium vivax	hexose transporter	0.0106	0.2253	0.2253
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0676	0.2999
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Giardia lamblia	Hexose transporter	0.0015	0.0201	0.346
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	myo-inositol transporter, putative	0.0015	0.0201	0.0894
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	sugar transporter	0.0106	0.2253	1
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0032	0.0582	0.2583
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.0552	0.2448
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0448	0.1987
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0201	0.0305
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0201	0.0399
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0597	0.2648
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0171	0.3724	0.3724
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter	0.0033	0.0606	0.8651
Schistosoma mansoni	glucose transporter	0.0015	0.0201	0.0894
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0676	0.9645
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0676	0.2999
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0399	0.5899
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0676	0.134
Trichomonas vaginalis	glucose transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0333	0.1477
Trichomonas vaginalis	conserved hypothetical protein	0.0106	0.2253	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.06 umol/L	Cytotoxicity against human KB cells after 4 days by MTT assay	ChEMBL.	18554906
IC50 (functional)	= 0.18 umol/L	Cytotoxicity against human HepG2 cells after 4 days by MTT assay	ChEMBL.	18554906
IC50 (functional)	= 0.22 umol/L	Cytotoxicity against human HT29 cells after 4 days by MTT assay	ChEMBL.	18554906
IC50 (functional)	= 0.53 umol/L	Cytotoxicity against human BXPC3 cells after 4 days by MTT assay	ChEMBL.	18554906
IC50 (functional)	= 1.21 umol/L	Cytotoxicity against human A549 cells after 4 days by MTT assay	ChEMBL.	18554906
IC50 (functional)	= 4.26 umol/L	Cytotoxicity against human A2780 cells after 4 days by MTT assay	ChEMBL.	18554906
IC50 (functional)	= 6 umol/L	Cytotoxicity against human BEL-7402 cells after 4 days by MTT assay	ChEMBL.	18554906

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18554906

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: CHEMBL452537

Bibliographic References

No literature references available for this target.

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Detailed information for compound 951884