TDR Targets

Basic information

Technical information

TDR Targets ID: 343909
Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[(2,6-di chlorophenyl)methyl]-5-methyl-1H-pyrimidin-4- one
MW: 425.759 | Formula: C19H15Cl3N2OS
H donors: 1 H acceptors: 3 LogP: 6.72 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)CSc1nc(Cc2c(Cl)cccc2Cl)c(c(n1)O)C
InChi: 1S/C19H15Cl3N2OS/c1-11-17(9-14-15(21)6-3-7-16(14)22)23-19(24-18(11)25)26-10-12-4-2-5-13(20)8-12/h2-8H,9-10H2,1H3,(H,23,24,25)
InChiKey: VKLJKTALWZFIAP-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

2-[(3-chlorophenyl)methylthio]-6-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one
2-[(3-chlorobenzyl)thio]-6-(2,6-dichlorobenzyl)-5-methyl-1H-pyrimidin-4-one
4(3H)-Pyrimidinone, 2-[[(3-chlorophenyl)methyl]thio]-6-[(2,6-dichlorophenyl)methyl]-5-methyl-
AIDS-345957
AIDS345957

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	bifunctional aminoacyl-tRNA synthetase	0.0032	0.0582	0.2583
Entamoeba histolytica	protein kinase, putative	0.0032	0.0597	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Onchocerca volvulus		0.0015	0.0201	0.5
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0201	0.5052
Plasmodium vivax	hexose transporter	0.0105	0.2253	0.2253
Onchocerca volvulus		0.0015	0.0201	0.5
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.017	0.3724	0.5632
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma cruzi	glucose transporter, putative	0.0015	0.0201	0.2874
Toxoplasma gondii	facilitative glucose transporter GT1	0.0105	0.2253	0.3408
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0597	0.0597
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0399	0.1769
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0201	1
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	1
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0446	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2253	1
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	General substrate transporter	0.009	0.1918	0.851
Leishmania major	glucose transporter, lmgt1	0.0033	0.0606	0.8651
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0597	0.0903
Entamoeba histolytica	hypothetical protein	0.0023	0.0399	0.6679
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0399	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0582	0.2583
Schistosoma mansoni	glucose transporter	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0201	0.0305
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Leishmania major	glucose transporter, lmgt2	0.0033	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0399	0.6849
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0701	1
Leishmania major	protein kinase, putative	0.0032	0.0597	0.8517
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0201	0.0305
Onchocerca volvulus		0.0015	0.0201	0.5
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0597	0.2648
Onchocerca volvulus		0.0015	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0701	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0597	0.2648
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0448	0.1987
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0597	0.2648
Schistosoma mansoni	protein kinase	0.0032	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0582	0.2583
Trypanosoma brucei	glucose transporter 2A	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Plasmodium falciparum	protein kinase 7	0.0297	0.6612	0.6612
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0032	0.0582	0.2583
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0037	0.0701	0.106
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0597	0.2648
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.017	0.3724	0.3724
Brugia malayi	Cam kinase protein 1	0.0032	0.0597	0.2648
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0201	0.0201
Onchocerca volvulus		0.0015	0.0201	0.5
Onchocerca volvulus	Putative transporter	0.0015	0.0201	0.5
Echinococcus multilocularis	General substrate transporter	0.009	0.1918	0.851
Mycobacterium ulcerans	sugar transporter	0.0015	0.0201	0.5052
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2253	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0399	0.1769
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0399	0.6849
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0201	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0201	0.0305
Loa Loa (eye worm)	sugar transporter	0.0105	0.2253	1
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0894
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.2874
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Trypanosoma cruzi	sugar transporter, putative	0.0015	0.0201	0.2874
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0032	0.0582	1
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0119	0.2978
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	1
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0399	1
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0399	0.1769
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	0.5469
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Schistosoma mansoni	glucose transport protein	0.0105	0.2253	1
Trypanosoma brucei	sugar transporter, putative	0.0015	0.0201	0.2874
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Echinococcus granulosus	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	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0582	0.2583
Onchocerca volvulus		0.0015	0.0201	0.5
Plasmodium falciparum	mitogen-activated protein kinase 2	0.017	0.3724	0.3724
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0582	0.2583
Leishmania major	glucose transporter, lmgt3	0.0033	0.0606	0.8651
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.2874
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Schistosoma mansoni	glucose transport protein	0.0105	0.2253	1
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0399	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Trypanosoma cruzi	hexose transporter, putative	0.0015	0.0201	0.2874
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.027	0.386
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Giardia lamblia	Prolyl-tRNA synthetase	0.0032	0.0582	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0333	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	sugar transporter	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transport protein, putative	0.0015	0.0201	0.0894
Leishmania major	hypothetical protein, conserved	0.0015	0.0201	0.2874
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0119	0.2978
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter 1E	0.0033	0.0606	0.8651
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0399	0.0399
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0399	0.1769
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0399	0.5689
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Schistosoma mansoni	protein kinase	0.0032	0.0597	0.2648
Giardia lamblia	Sugar-proton symporter	0.0015	0.0201	0.346
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0399	1
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0597	0.2648
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2253	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0032	0.0582	0.9752
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Giardia lamblia	Hexose transporter	0.0015	0.0201	0.346
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0597	0.0597
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0119	1
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
Onchocerca volvulus		0.0015	0.0201	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0597	0.0597
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	1
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0399	0.0399
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0201	0.5052
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0597	0.0597
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0597	0.0903
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0399	0.5689
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter	0.0033	0.0606	0.8651
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2253	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0318	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0582	0.2583
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0201	0.6328
Onchocerca volvulus		0.0015	0.0201	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	myo-inositol transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0399	0.5689
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0597	0.2648
Schistosoma mansoni	hypothetical protein	0.0105	0.2253	1
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0201	0.0894
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0201	0.0894
Toxoplasma gondii	protein kinase, putative	0.0297	0.6612	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2253	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Brugia malayi	Sugar transporter family protein	0.0105	0.2253	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2253	1
Plasmodium vivax	sugar transporter, putative	0.0015	0.0201	0.0201
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.016	0.0709
Onchocerca volvulus		0.0015	0.0201	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0894
Plasmodium vivax	proline--tRNA ligase, putative	0.0037	0.0701	0.0701
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	protein kinase	0.0032	0.0597	0.2648
Schistosoma mansoni	glucose transport protein	0.0105	0.2253	1
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.0552	0.2448
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0582	0.2583
Trichomonas vaginalis	conserved hypothetical protein	0.0105	0.2253	1
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0597	0.2648
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0597	0.0903
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0201	0.6328
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	1
Onchocerca volvulus		0.0015	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0399	0.1769
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0597	0.8517
Entamoeba histolytica	protein kinase, putative	0.0032	0.0597	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.2648
Plasmodium falciparum	proline--tRNA ligase	0.0037	0.0701	0.0701
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0597	0.0597
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0032	0.0582	0.2583
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0597	0.0597
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2253	1
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	glucose transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.0552	0.2448
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0399	0.1769
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0201	0.5052
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0105	0.2253	1
Plasmodium falciparum	hexose transporter	0.0105	0.2253	0.2253
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0399	1

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	> 59 uM	Cytotoxicity against MT4 cells by MTT method	ChEMBL.	16335924
CC50 (functional)	> 59 uM	Cytotoxicity against MT4 cells by MTT method	ChEMBL.	16335924
EC50 (functional)	= 0.31 uM	Antiviral activity against wild type HIV1 NL4-3 infected MT4 cells by MTT method	ChEMBL.	16335924
EC50 (functional)	= 4.8 uM	Antiviral activity against HIV1 IRLL98 mutant strain infected MT4 cells by MTT method	ChEMBL.	16335924
EC50 (functional)	> 59 uM	Antiviral activity against HIV1 K103N mutant strain infected MT4 cells by MTT method	ChEMBL.	16335924
EC50 (functional)	> 59 uM	Antiviral activity against HIV1 Y188L mutant strain infected MT4 cells by MTT method	ChEMBL.	16335924
ID50 (binding)	= 2.3 uM	Inhibition of wild type HIV1 reverse transcriptase by [3H]-dTTP poly(rA)/oligo(dT) incorporation	ChEMBL.	16335924
ID50 (binding)	= 2.3 uM	Inhibition of wild type HIV1 reverse transcriptase by [3H]-dTTP poly(rA)/oligo(dT) incorporation	ChEMBL.	16335924
ID50 (binding)	= 400 uM	Inhibition of K103N mutant HIV1 reverse transcriptase by [3H]-dTTP poly(rA)/oligo(dT) incorporation	ChEMBL.	16335924
ID50 (binding)	= 400 uM	Inhibition of Y181I mutant HIV1 reverse transcriptase by [3H]-dTTP poly(rA)/oligo(dT) incorporation	ChEMBL.	16335924
ID50 (binding)	= 400 uM	Inhibition of K103N mutant HIV1 reverse transcriptase by [3H]-dTTP poly(rA)/oligo(dT) incorporation	ChEMBL.	16335924
ID50 (binding)	= 400 uM	Inhibition of Y181I mutant HIV1 reverse transcriptase by [3H]-dTTP poly(rA)/oligo(dT) incorporation	ChEMBL.	16335924

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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: CHEMBL198704
PubChem: 11495579

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 343909