TDR Targets

Basic information

Technical information

TDR Targets ID: 160922
Name: 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimid ine
MW: 255.338 | Formula: C14H13N3S
H donors: 0 H acceptors: 2 LogP: 3.09 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)CSCc1cnc2n1cccn2
InChi: 1S/C14H13N3S/c1-2-5-12(6-3-1)10-18-11-13-9-16-14-15-7-4-8-17(13)14/h1-9H,10-11H2
InChiKey: OYVABCCPGYNGIR-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

3-[(benzylthio)methyl]imidazo[1,2-a]pyrimidine
3-(phenylmethylsulfanylmethyl)imidazo[1,2-a]pyrimidine
3-[(phenylmethylthio)methyl]imidazo[1,2-a]pyrimidine
3-Benzylsulfanylmethyl-imidazo[1,2-a]pyrimidine
AIDS-185958
AIDS185958

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Curated by TDR Targets	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	ko:K00560 thymidylate synthase [EC2.1.1.45], putative	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Loa Loa (eye worm)	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Brugia malayi	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium ulcerans	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium yoelii	thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania major	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Onchocerca volvulus		Get druggable targets OG5_127385	All targets in OG5_127385
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Get druggable targets OG5_127385	All targets in OG5_127385

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
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0081	0.3665	1
Loa Loa (eye worm)	tubulin alpha 2	0.0028	0.0404	0.0601
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0015	0.0022
Schistosoma mansoni	tubulin subunit gamma	0.0049	0.1737	0.2569
Schistosoma mansoni	tubulin subunit beta	0.0081	0.3665	0.5447
Loa Loa (eye worm)	tubulin alpha chain	0.0049	0.1737	0.2585
Trichomonas vaginalis	tubulin alpha chain, putative	0.0028	0.0404	0.1065
Echinococcus granulosus	Tubulin alpha 1 chain	0.0049	0.1737	0.2585
Brugia malayi	Tubulin alpha-2 chain	0.0049	0.1737	0.2569
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0015	0.0022
Loa Loa (eye worm)	beta-tubulin	0.0081	0.3665	0.5457
Toxoplasma gondii	beta-tubulin, putative	0.0081	0.3665	0.3656
Echinococcus multilocularis	beta tubulin	0.0081	0.3665	0.5457
Echinococcus granulosus	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Brugia malayi	Tubulin beta chain	0.0028	0.0404	0.058
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Plasmodium falciparum	alpha tubulin 2	0.0049	0.1737	0.1724
Loa Loa (eye worm)	thymidylate synthase	0.013	0.6717	1
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Echinococcus multilocularis	tubulin alpha 3 chain	0.0049	0.1737	0.2585
Plasmodium falciparum	tubulin beta chain	0.0081	0.3665	0.3656
Plasmodium vivax	tubulin beta chain, putative	0.0081	0.3665	0.3656
Echinococcus multilocularis	tubulin alpha	0.0049	0.1737	0.2585
Echinococcus multilocularis	tubulin gamma 1 chain	0.0049	0.1737	0.2585
Brugia malayi	thymidylate synthase	0.013	0.6717	1
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Schistosoma mansoni	tubulin subunit alpha	0.0049	0.1737	0.2569
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Loa Loa (eye worm)	tubulin alpha 2	0.0028	0.0404	0.0601
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	1	1
Trypanosoma brucei	epsilon tubulin	0.0049	0.1737	0.1389
Schistosoma mansoni	alpha tubulin	0.0049	0.1737	0.2569
Echinococcus granulosus	tubulin alpha 1C chain	0.0049	0.1737	0.2585
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0062	0.2496	0.0919
Echinococcus granulosus	tubulin subunit beta	0.0081	0.3665	0.5457
Brugia malayi	Tubulin alpha-2 chain	0.0049	0.1737	0.2569
Echinococcus granulosus	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.013	0.6717	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0081	0.3665	0.5457
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0015	0.0022
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Trichomonas vaginalis	tubulin, putative	0.0028	0.0404	0.1065
Schistosoma mansoni	tubulin subunit beta	0.0081	0.3665	0.5447
Brugia malayi	hypothetical protein	0.0062	0.2496	0.3703
Echinococcus multilocularis	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Echinococcus granulosus	beta tubulin	0.0081	0.3665	0.5457
Trypanosoma brucei	alpha tubulin	0.0049	0.1737	0.1389
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0015	0.0022
Plasmodium vivax	tubulin epsilon chain, putative	0.0049	0.1737	0.1724
Echinococcus granulosus	peroxisome assembly protein 26	0.0049	0.1737	0.2585
Echinococcus multilocularis	dihydrofolate reductase	0.0053	0.1949	0.2902
Trypanosoma brucei	alpha tubulin	0.0049	0.1737	0.1389
Brugia malayi	beta-tubulin, identical	0.0081	0.3665	0.5447
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0049	0.1737	0.2585
Entamoeba histolytica	tubulin gamma chain	0.0049	0.1737	0.4716
Brugia malayi	Tubulin gamma chain	0.0049	0.1737	0.2569
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Toxoplasma gondii	alpha tubulin TUBA1	0.0049	0.1737	0.1724
Trypanosoma brucei	beta tubulin	0.0081	0.3665	0.3399
Echinococcus granulosus	tubulin subunit TubB	0.0049	0.1737	0.2585
Echinococcus multilocularis	tubulin alpha chain	0.0049	0.1737	0.2585
Trichomonas vaginalis	tubulin beta chain, putative	0.0049	0.1737	0.4716
Trichomonas vaginalis	tubulin beta chain, putative	0.0028	0.0404	0.1065
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0049	0.1737	0.2585
Entamoeba histolytica	tubulin alpha chain, putative	0.0049	0.1737	0.4716
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0028	0.0404	0.0601
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Schistosoma mansoni	tubulin subunit alpha	0.0049	0.1737	0.2569
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0049	0.1737	0.2585
Echinococcus multilocularis	tubulin beta 1 chain	0.0081	0.3665	0.5457
Echinococcus granulosus	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Leishmania major	gamma-tubulin	0.0049	0.1737	0.1724
Schistosoma mansoni	alpha tubulin	0.0049	0.1737	0.2569
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Giardia lamblia	Beta tubulin	0.0081	0.3665	1
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Loa Loa (eye worm)	alpha-tubulin	0.0049	0.1737	0.2585
Brugia malayi	Tubulin beta-1 chain	0.0081	0.3665	0.5447
Loa Loa (eye worm)	dihydrofolate reductase	0.0053	0.1949	0.2902
Trichomonas vaginalis	tubulin, putative	0.0028	0.0404	0.1065
Entamoeba histolytica	tubulin family protein	0.0081	0.3665	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	1	1
Schistosoma mansoni	tubulin subunit beta	0.0081	0.3665	0.5447
Trichomonas vaginalis	tubulin alpha chain, putative	0.0028	0.0404	0.1065
Echinococcus granulosus	thymidylate synthase	0.013	0.6717	1
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.2496	0.6798
Echinococcus multilocularis	multidrug resistance protein 1	0.0022	0.0015	0.0022
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0053	0.1949	0.2886
Echinococcus granulosus	tubulin beta 1 chain	0.0081	0.3665	0.5457
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0015	0.0022
Brugia malayi	dihydrofolate reductase family protein	0.0053	0.1949	0.2886
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Trichomonas vaginalis	tubulin beta chain, putative	0.0081	0.3665	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.0015	0.0022
Plasmodium falciparum	alpha tubulin 1	0.0049	0.1737	0.1724
Echinococcus granulosus	tubulin alpha chain	0.0049	0.1737	0.2585
Leishmania major	epsilon tubulin, putative	0.0049	0.1737	0.1724
Echinococcus multilocularis	thymidylate synthase	0.013	0.6717	1
Echinococcus granulosus	dihydrofolate reductase	0.0053	0.1949	0.2902
Toxoplasma gondii	beta tubulin	0.0081	0.3665	0.3656
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Schistosoma mansoni	alpha tubulin	0.0049	0.1737	0.2569
Echinococcus multilocularis	tubulin alpha 1C chain	0.0049	0.1737	0.2585
Trypanosoma brucei	tubulin gamma chain	0.0049	0.1737	0.1389
Entamoeba histolytica	tubulin family protein	0.0081	0.3665	1
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Echinococcus multilocularis	tubulin alpha chain	0.0049	0.1737	0.2585
Trypanosoma cruzi	beta tubulin, putative	0.0081	0.3665	0.2334
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Trypanosoma brucei	beta tubulin	0.0081	0.3665	0.3399
Toxoplasma gondii	beta-1 tubulin, putative	0.0081	0.3665	0.3656
Echinococcus multilocularis	hypothetical protein	0.0049	0.1737	0.2585
Trichomonas vaginalis	tubulin beta chain, putative	0.0049	0.1737	0.4716
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0049	0.1737	0.4716
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0049	0.1737	0.2585
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0081	0.3665	1
Brugia malayi	tubulin alpha chain - mouse	0.0049	0.1737	0.2569
Giardia lamblia	Beta tubulin	0.0081	0.3665	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0049	0.1737	0.2585
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.6717	1
Trichomonas vaginalis	tubulin, putative	0.0081	0.3665	1
Loa Loa (eye worm)	tubulin beta chain	0.0081	0.3665	0.5457
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0183	1	1
Trypanosoma brucei	alpha tubulin	0.0049	0.1737	0.1389
Loa Loa (eye worm)	multidrug resistance protein 3	0.0022	0.0015	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0404	0.0601
Trichomonas vaginalis	tubulin gamma chain, putative	0.0049	0.1737	0.4716
Echinococcus multilocularis	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0028	0.0404	0.1065
Echinococcus multilocularis	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Chlamydia trachomatis	dihydrofolate reductase	0.0053	0.1949	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0049	0.1737	0.4716
Toxoplasma gondii	alpha-tubulin I, putative	0.0049	0.1737	0.1724
Trypanosoma brucei	alpha tubulin	0.0049	0.1737	0.1389
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Trichomonas vaginalis	tubulin beta chain, putative	0.0049	0.1737	0.4716
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0183	1	1
Plasmodium vivax	tubulin gamma chain, putative	0.0049	0.1737	0.1724
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Echinococcus granulosus	tubulin gamma 1 chain	0.0049	0.1737	0.2585
Giardia lamblia	Beta tubulin	0.0081	0.3665	1
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Plasmodium vivax	tubulin alpha chain, putative	0.0049	0.1737	0.1724
Echinococcus granulosus	tubulin epsilon chain	0.0049	0.1737	0.2585
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Loa Loa (eye worm)	tubulin beta-2A chain	0.0081	0.3665	0.5457
Mycobacterium ulcerans	thymidylate synthase	0.013	0.6717	1
Schistosoma mansoni	tubulin subunit epsilon	0.0049	0.1737	0.2569
Plasmodium falciparum	tubulin epsilon chain, putative	0.0049	0.1737	0.1724
Echinococcus granulosus	tubulin alpha 1C chain	0.0049	0.1737	0.2585
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.6717	1
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0015	0.0022
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Trypanosoma brucei	beta tubulin	0.0081	0.3665	0.3399
Echinococcus granulosus	tubulin alpha 3 chain	0.0049	0.1737	0.2585
Echinococcus granulosus	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Trichomonas vaginalis	tubulin alpha chain, putative	0.0028	0.0404	0.1065
Echinococcus granulosus	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Echinococcus multilocularis	multidrug resistance protein 1	0.0022	0.0015	0.0022
Brugia malayi	tubulin alpha-2 chain	0.0049	0.1737	0.2569
Loa Loa (eye worm)	tubulin beta-4 chain	0.0081	0.3665	0.5457
Echinococcus granulosus	alpha tubulin	0.0049	0.1737	0.2585
Echinococcus multilocularis	beta tubulin	0.0081	0.3665	0.5457
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Echinococcus granulosus	tubulin alpha chain	0.0049	0.1737	0.2585
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0015	0.0022
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0049	0.1737	0.4716
Plasmodium falciparum	tubulin gamma chain	0.0049	0.1737	0.1724
Onchocerca volvulus		0.013	0.6717	1
Loa Loa (eye worm)	BEN-1 protein	0.0081	0.3665	0.5457
Echinococcus granulosus	tubulin alpha	0.0049	0.1737	0.2585
Brugia malayi	alpha-tubulin	0.0049	0.1737	0.2569
Leishmania major	alpha tubulin	0.0049	0.1737	0.1724
Entamoeba histolytica	tubulin alpha-1 chain	0.0049	0.1737	0.4716
Schistosoma mansoni	tubulin subunit beta	0.0081	0.3665	0.5447
Mycobacterium tuberculosis	Hypothetical protein	0.0062	0.2496	0.3703
Echinococcus multilocularis	tubulin alpha chain	0.0049	0.1737	0.2585
Brugia malayi	Dihydrofolate reductase	0.0053	0.1949	0.2886
Brugia malayi	Tubulin alpha chain	0.0049	0.1737	0.2569
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0028	0.0404	0.1065
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0015	0.0022
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0049	0.1737	0.4716
Echinococcus multilocularis	tubulin alpha chain	0.0049	0.1737	0.2585
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0022	0.0015	0.0022
Trypanosoma brucei	epsilon tubulin	0.0049	0.1737	0.1389
Trichomonas vaginalis	tubulin alpha chain, putative	0.0081	0.3665	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0049	0.1737	0.4716
Schistosoma mansoni	tubulin subunit beta	0.0081	0.3665	0.5447
Plasmodium vivax	tubulin alpha chain, putative	0.0049	0.1737	0.1724
Schistosoma mansoni	tubulin subunit beta	0.0081	0.3665	0.5447
Echinococcus multilocularis	tubulin alpha 3 chain	0.0049	0.1737	0.2585
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0183	1	1
Echinococcus multilocularis	tubulin epsilon chain	0.0049	0.1737	0.2585
Echinococcus granulosus	tubulin alpha 3 chain	0.0049	0.1737	0.2585
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1737	0.2585
Loa Loa (eye worm)	BEN-1 protein	0.0081	0.3665	0.5457
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.0015	0.0022
Trichomonas vaginalis	tubulin gamma chain, putative	0.0081	0.3665	1
Echinococcus granulosus	tubulin alpha chain	0.0049	0.1737	0.2585
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.0015	0.0022
Echinococcus granulosus	tubulin beta 4A class IVa	0.0081	0.3665	0.5457
Echinococcus multilocularis	tubulin alpha 1C chain	0.0049	0.1737	0.2585
Echinococcus multilocularis	peroxisome assembly protein 26	0.0049	0.1737	0.2585
Trypanosoma brucei	beta tubulin	0.0049	0.1737	0.1389
Echinococcus multilocularis	tubulin subunit TubB	0.0049	0.1737	0.2585
Trichomonas vaginalis	tubulin beta chain, putative	0.0049	0.1737	0.4716
Trichomonas vaginalis	tubulin alpha chain, putative	0.0049	0.1737	0.4716
Trypanosoma brucei	epsilon tubulin	0.0049	0.1737	0.1389
Echinococcus granulosus	beta tubulin	0.0081	0.3665	0.5457
Echinococcus multilocularis	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0015	0.0022
Echinococcus multilocularis	Tubulin beta 2C chain	0.0081	0.3665	0.5457
Echinococcus granulosus	tubulin alpha chain	0.0049	0.1737	0.2585
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0015	0.0022
Schistosoma mansoni	dihydrofolate reductase	0.0053	0.1949	0.2886
Echinococcus granulosus	Tubulin alpha 1 chain	0.0049	0.1737	0.2585
Echinococcus multilocularis	tubulin subunit beta	0.0081	0.3665	0.5457
Loa Loa (eye worm)	tubulin alpha chain	0.0049	0.1737	0.2585
Loa Loa (eye worm)	alpha-tubulin	0.0049	0.1737	0.2585
Loa Loa (eye worm)	tubulin gamma chain	0.0049	0.1737	0.2585
Trypanosoma brucei	beta tubulin	0.0081	0.3665	0.3399
Onchocerca volvulus		0.0028	0.0404	0.058
Leishmania major	beta tubulin	0.0081	0.3665	0.3656
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0081	0.3665	0.5457
Trichomonas vaginalis	tubulin beta chain, putative	0.0049	0.1737	0.4716
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.0015	0.0022
Echinococcus granulosus	tubulin alpha chain	0.0049	0.1737	0.2585
Schistosoma mansoni	tubulin subunit alpha	0.0049	0.1737	0.2569
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0049	0.1737	0.1724
Echinococcus multilocularis	tubulin alpha chain	0.0049	0.1737	0.2585

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	= 4.2 ug ml-1	Cytotoxic concentration required to reduce CEM cell viability by 50%	ChEMBL.	8709116
CC50 (ADMET)	= 4.2 ug ml-1	Cytotoxic concentration required to reduce CEM cell viability by 50%	ChEMBL.	8709116
CC50 (ADMET)	= 40 ug ml-1	Cytotoxic concentration required to cause microscopically detecetable alteration of normal cell morphology of HeLa cells	ChEMBL.	8709116
CC50 (ADMET)	= 40 ug ml-1	Cytotoxic concentration required to cause microscopically detecetable alteration of normal cell morphology of HeLa cells	ChEMBL.	8709116
CC50 (ADMET)	= 100 ug ml-1	Cytotoxic concentration required to cause microscopically detecetable alteration of normal cell morphology of E6SM cells	ChEMBL.	8709116
CC50 (ADMET)	= 100 ug ml-1	Cytotoxic concentration required to cause microscopically detecetable alteration of normal cell morphology of E6SM cells	ChEMBL.	8709116
CC50 (ADMET)	= 200 ug ml-1	Cytotoxic concentration required to cause microscopically detecetable alteration of normal cell morphology of Vero cells	ChEMBL.	8709116
MCC (ADMET)	= 40 ug ml-1	Minimum cytotoxic concentration to reduce the HEL cell proleferation by 50%	ChEMBL.	8709116
MCC (ADMET)	= 40 ug ml-1	Minimum cytotoxic concentration to reduce the HEL cell proleferation by 50%	ChEMBL.	8709116
MIC (functional)	= 2 ug ml-1	Minimum Inhibitory Concentration (MIC) tested for activity against Cytomegalovirus(CMV) using AD169 strain	ChEMBL.	8709116
MIC (functional)	= 2 ug ml-1	Minimum Inhibitory Concentration (MIC) tested for activity against Cytomegalovirus(CMV) using Davis strain	ChEMBL.	8709116
MIC (functional)	= 2.4 ug ml-1	Minimum Inhibitory Concentration (MIC) tested for activity against Varicella-Zoster Virus(VZV) using YS(TK+) strain.	ChEMBL.	8709116
MIC (functional)	= 5 ug ml-1	Minimum Inhibitory Concentration (MIC) tested for activity against Varicella-Zoster Virus(VZV) using 07/1 (TK-) strain.	ChEMBL.	8709116
MIC (functional)	= 8.8 ug ml-1	Minimum Inhibitory Concentration(MIC) for activity against Varicella-Zoster Virus(VZV) using OKA (TK+) strain	ChEMBL.	8709116
MIC (functional)	> 10 ug ml-1	Minimum Inhibition Concentration(MIC) of the compound was tested for activity against Varicella-Zoster Virus(VZV) using YS/R (TK-) strain.	ChEMBL.	8709116

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: CHEMBL420257
PubChem: 511757

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 160922