TDR Targets

Basic information

Technical information

TDR Targets ID: 327259
Name: (2R)-1-[4-[[3-(3,4-dichlorophenyl)-1,2,4-oxad iazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methy l-1,3-benzothiazol-5-yl)oxy]propan-2-ol
MW: 534.458 | Formula: C24H25Cl2N5O3S
H donors: 1 H acceptors: 4 LogP: 4.65 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O[C@H](CN1CCN(CC1)Cc1onc(n1)c1ccc(c(c1)Cl)Cl)COc1ccc2c(c1)nc(s2)C
InChi: 1S/C24H25Cl2N5O3S/c1-15-27-21-11-18(3-5-22(21)35-15)33-14-17(32)12-30-6-8-31(9-7-30)13-23-28-24(29-34-23)16-2-4-19(25)20(26)10-16/h2-5,10-11,17,32H,6-9,12-14H2,1H3/t17-/m1/s1
InChiKey: JNTMOIJSFYSNBP-QGZVFWFLSA-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

(2R)-1-[4-[[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-propanol
(2R)-1-[4-[[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
(2R)-1-[4-[[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Palmitoyl-CoA oxidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Acyl-CoA oxidase family protein	Get druggable targets OG5_127307	All targets in OG5_127307
Candida albicans	fatty-acyl coenzyme A oxidase similar to C.tropicalis POX4, linked to POX102	Get druggable targets OG5_127307	All targets in OG5_127307
Neospora caninum	Pc13g14410 protein, related	Get druggable targets OG5_127307	All targets in OG5_127307
Candida albicans	fatty-acyl coenzyme A oxidase similar to C.tropicalis POX4, linked to POX102	Get druggable targets OG5_127307	All targets in OG5_127307
Candida albicans	fatty-acyl coA oxidase, peroxisomal beta-oxidation, similar to C.tropicalis POX5	Get druggable targets OG5_127307	All targets in OG5_127307
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127307	All targets in OG5_127307
Candida albicans	fatty-acyl coenzyme A oxidase similar to C.tropicalis POX2, linked to POX104	Get druggable targets OG5_127307	All targets in OG5_127307
Toxoplasma gondii	acyl-CoA dehydrogenase, middle domain-containing protein	Get druggable targets OG5_127307	All targets in OG5_127307
Candida albicans	fatty-acyl coenzyme A oxidase similar to C.tropicalis POX2, linked to POX104	Get druggable targets OG5_127307	All targets in OG5_127307
Candida albicans	fatty-acyl coA oxidase, peroxisomal beta-oxidation, similar to C.tropicalis POX5	Get druggable targets OG5_127307	All targets in OG5_127307
Loa Loa (eye worm)	acyl-CoA oxidase	Get druggable targets OG5_127307	All targets in OG5_127307

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	RING-box protein 2 homolog	Palmitoyl-CoA oxidase	661 aa	659 aa	42.5 %
Drosophila melanogaster	CG9527 gene product from transcript CG9527-RD	Palmitoyl-CoA oxidase	661 aa	662 aa	32.6 %
Dictyostelium discoideum	acyl-CoA oxidase	Palmitoyl-CoA oxidase	661 aa	625 aa	28.5 %
Drosophila melanogaster	CG4586 gene product from transcript CG4586-RA	Palmitoyl-CoA oxidase	661 aa	682 aa	40.6 %
Dictyostelium discoideum	hypothetical protein	Palmitoyl-CoA oxidase	661 aa	627 aa	29.4 %
Onchocerca volvulus	Putative cyclin-dependent kinase 9	Palmitoyl-CoA oxidase	661 aa	677 aa	26.3 %
Dictyostelium discoideum	acyl-CoA oxidase	Palmitoyl-CoA oxidase	661 aa	585 aa	29.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	tubulin alpha chain	0.0015	0.0276	0.0276
Schistosoma mansoni	tyrosine kinase	0.0019	0.0499	0.0499
Echinococcus granulosus	tubulin alpha 3 chain	0.0015	0.0276	0.0276
Echinococcus granulosus	tubulin gamma 1 chain	0.0015	0.0276	0.0276
Giardia lamblia	Beta tubulin	0.0015	0.0276	0.5
Echinococcus multilocularis	insulin receptor	0.0054	0.2806	0.2806
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0015	0.0296	0.0296
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Schistosoma mansoni	nck2/grb4	0.0015	0.0296	0.0296
Loa Loa (eye worm)	BEN-1 protein	0.0015	0.0276	0.0276
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Onchocerca volvulus		0.0011	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0.0276	0.5
Schistosoma mansoni	tyrosine kinase	0.0163	1	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0163	1	1
Giardia lamblia	Alpha-tubulin	0.0015	0.0276	0.5
Giardia lamblia	Beta tubulin	0.0015	0.0276	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Plasmodium falciparum	alpha tubulin 2	0.0015	0.0276	0.5
Trypanosoma brucei	alpha tubulin	0.0015	0.0276	0.5
Schistosoma mansoni	tubulin subunit alpha	0.0015	0.0276	0.0276
Loa Loa (eye worm)	tubulin beta-1 chain	0.0015	0.0276	0.0276
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0015	0.0276	0.0276
Echinococcus granulosus	Tubulin alpha 1 chain	0.0015	0.0276	0.0276
Plasmodium falciparum	tubulin beta chain	0.0015	0.0276	0.5
Echinococcus multilocularis	beta tubulin	0.0015	0.0276	0.0276
Echinococcus granulosus	c src tyrosine kinase	0.0019	0.0499	0.0499
Echinococcus granulosus	alpha tubulin	0.0015	0.0276	0.0276
Echinococcus multilocularis	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Echinococcus granulosus	tubulin alpha chain	0.0015	0.0276	0.0276
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0054	0.2806	0.2806
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0019	0.0499	0.0499
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0019	0.0499	0.0499
Trypanosoma cruzi	tubulin gamma chain	0.0015	0.0276	0.5
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Echinococcus multilocularis	tubulin alpha 3 chain	0.0015	0.0276	0.0276
Echinococcus granulosus	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Echinococcus granulosus	tubulin alpha 1C chain	0.0015	0.0276	0.0276
Echinococcus granulosus	tubulin alpha chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	hypothetical protein	0.0015	0.0276	0.0276
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0019	0.0499	0.0499
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0019	0.0499	0.0499
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0019	0.0499	0.0499
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0019	0.0499	0.0499
Giardia lamblia	Alpha-tubulin	0.0015	0.0276	0.5
Loa Loa (eye worm)	tubulin beta chain	0.0015	0.0276	0.0276
Giardia lamblia	Gamma tubulin	0.0015	0.0276	0.5
Echinococcus multilocularis	tubulin alpha	0.0015	0.0276	0.0276
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0015	0.0296	0.0296
Trichomonas vaginalis	tubulin alpha chain, putative	0.0015	0.0276	0.5
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	0.0276	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0.0276	0.5
Brugia malayi	Tubulin gamma chain	0.0015	0.0276	0.0276
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0.0276	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0015	0.0276	0.0276
Schistosoma mansoni	alpha tubulin	0.0015	0.0276	0.0276
Schistosoma mansoni	tubulin subunit beta	0.0015	0.0276	0.0276
Giardia lamblia	Beta tubulin	0.0015	0.0276	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0019	0.0499	0.0499
Plasmodium falciparum	tubulin epsilon chain, putative	0.0015	0.0276	0.5
Echinococcus granulosus	beta tubulin	0.0015	0.0276	0.0276
Echinococcus multilocularis	tubulin alpha chain	0.0015	0.0276	0.0276
Trichomonas vaginalis	tubulin gamma chain, putative	0.0015	0.0276	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0089	0.5108	0.5108
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0019	0.0499	0.0499
Echinococcus multilocularis	tubulin subunit TubB	0.0015	0.0276	0.0276
Echinococcus granulosus	tubulin alpha	0.0015	0.0276	0.0276
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Brugia malayi	SRC-1	0.0019	0.0499	0.0499
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0019	0.0499	0.0499
Schistosoma mansoni	tubulin subunit beta	0.0015	0.0276	0.0276
Entamoeba histolytica	tubulin alpha chain, putative	0.0015	0.0276	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	0.0276	0.5
Plasmodium vivax	tubulin alpha chain, putative	0.0015	0.0276	0.5
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Echinococcus granulosus	insulin receptor	0.0054	0.2806	0.2806
Schistosoma mansoni	alpha tubulin	0.0015	0.0276	0.0276
Echinococcus granulosus	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Onchocerca volvulus		0.0011	0	0.5
Brugia malayi	Sex muscle abnormal protein 5	0.0015	0.0296	0.0296
Brugia malayi	beta-tubulin, identical	0.0015	0.0276	0.0276
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Schistosoma mansoni	tubulin subunit gamma	0.0015	0.0276	0.0276
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Plasmodium falciparum	alpha tubulin 1	0.0015	0.0276	0.5
Schistosoma mansoni	tyrosine kinase	0.0086	0.4904	0.4904
Schistosoma mansoni	adapter molecule crk	0.0015	0.0296	0.0296
Echinococcus granulosus	NCK adaptor protein	0.0015	0.0296	0.0296
Brugia malayi	Tubulin beta-1 chain	0.0015	0.0276	0.0276
Trypanosoma cruzi	alpha tubulin, putative	0.0015	0.0276	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0276	0.0276
Schistosoma mansoni	tyrosine kinase	0.0089	0.5108	0.5108
Echinococcus multilocularis	beta tubulin	0.0015	0.0276	0.0276
Trypanosoma brucei	epsilon tubulin	0.0015	0.0276	0.5
Echinococcus multilocularis	epidermal growth factor receptor	0.0089	0.5108	0.5108
Plasmodium vivax	tubulin gamma chain, putative	0.0015	0.0276	0.5
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Echinococcus granulosus	peroxisome assembly protein 26	0.0015	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0296	0.0296
Toxoplasma gondii	acyl-CoA dehydrogenase, middle domain-containing protein	0.0053	0.2771	1
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Schistosoma mansoni	tubulin subunit beta	0.0015	0.0276	0.0276
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0.0276	0.5
Loa Loa (eye worm)	tubulin gamma chain	0.0015	0.0276	0.0276
Brugia malayi	Tubulin alpha chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	tubulin alpha 1C chain	0.0015	0.0276	0.0276
Schistosoma mansoni	tubulin subunit alpha	0.0015	0.0276	0.0276
Brugia malayi	alpha-tubulin	0.0015	0.0276	0.0276
Echinococcus multilocularis	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Trypanosoma brucei	beta tubulin	0.0015	0.0276	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	0.0276	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0019	0.0499	0.0499
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0.0276	0.5
Schistosoma mansoni	tyrosine kinase	0.0089	0.5108	0.5108
Schistosoma mansoni	tyrosine kinase	0.0019	0.0499	0.0499
Schistosoma mansoni	tyrosine kinase	0.0019	0.0499	0.0499
Echinococcus granulosus	Tubulin alpha 1 chain	0.0015	0.0276	0.0276
Echinococcus granulosus	Tubulin alpha 1 chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	tubulin epsilon chain	0.0015	0.0276	0.0276
Brugia malayi	Protein kinase domain containing protein	0.0054	0.2806	0.2806
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Brugia malayi	tubulin alpha-2 chain	0.0015	0.0276	0.0276
Schistosoma mansoni	tubulin subunit beta	0.0015	0.0276	0.0276
Loa Loa (eye worm)	tubulin beta-2A chain	0.0015	0.0276	0.0276
Echinococcus granulosus	tubulin alpha 3 chain	0.0015	0.0276	0.0276
Entamoeba histolytica	tubulin family protein	0.0015	0.0276	1
Loa Loa (eye worm)	tubulin alpha chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Plasmodium vivax	tubulin epsilon chain, putative	0.0015	0.0276	0.5
Trypanosoma brucei	alpha tubulin	0.0015	0.0276	0.5
Echinococcus multilocularis	tubulin gamma 1 chain	0.0015	0.0276	0.0276
Trichomonas vaginalis	tubulin alpha chain, putative	0.0015	0.0276	0.5
Brugia malayi	Tubulin alpha-2 chain	0.0015	0.0276	0.0276
Schistosoma mansoni	tubulin subunit beta	0.0015	0.0276	0.0276
Brugia malayi	Acyl-CoA oxidase family protein	0.0053	0.2771	0.2771
Echinococcus granulosus	tubulin epsilon chain	0.0015	0.0276	0.0276
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0015	0.0276	0.5
Schistosoma mansoni	tyrosine kinase	0.0086	0.4904	0.4904
Echinococcus multilocularis	tubulin alpha 3 chain	0.0015	0.0276	0.0276
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Onchocerca volvulus		0.0011	0	0.5
Loa Loa (eye worm)	SRC-1	0.0019	0.0499	0.0499
Trypanosoma brucei	epsilon tubulin	0.0015	0.0276	0.5
Trypanosoma cruzi	epsilon tubulin, putative	0.0015	0.0276	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0019	0.0499	0.0499
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0015	0.0296	0.0296
Echinococcus multilocularis	tubulin beta 1 chain	0.0015	0.0276	0.0276
Onchocerca volvulus		0.0011	0	0.5
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0015	0.0276	0.0276
Trichomonas vaginalis	tubulin gamma chain, putative	0.0015	0.0276	0.5
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Leishmania major	gamma-tubulin	0.0015	0.0276	0.5
Echinococcus granulosus	tubulin alpha chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0019	0.0499	0.0499
Echinococcus multilocularis	tubulin alpha chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0015	0.0276	0.0276
Schistosoma mansoni	tyrosine kinase	0.0054	0.2806	0.2806
Loa Loa (eye worm)	alpha-tubulin	0.0015	0.0276	0.0276
Trypanosoma brucei	beta tubulin	0.0015	0.0276	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0019	0.0499	0.0499
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0019	0.0499	0.0499
Echinococcus multilocularis	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0019	0.0499	0.0499
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0089	0.5108	0.5108
Onchocerca volvulus		0.0011	0	0.5
Echinococcus multilocularis	epidermal growth factor receptor	0.0163	1	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0015	0.0276	0.0276
Trypanosoma brucei	epsilon tubulin	0.0015	0.0276	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.2337	0.2337
Leishmania major	epsilon tubulin, putative	0.0015	0.0276	0.5
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Plasmodium vivax	tubulin alpha chain, putative	0.0015	0.0276	0.5
Echinococcus granulosus	tubulin alpha 1C chain	0.0015	0.0276	0.0276
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0.0276	0.5
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0054	0.2806	0.2806
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0.0276	0.5
Trypanosoma brucei	alpha tubulin	0.0015	0.0276	0.5
Brugia malayi	Tubulin alpha-2 chain	0.0015	0.0276	0.0276
Entamoeba histolytica	tubulin gamma chain	0.0015	0.0276	1
Schistosoma mansoni	tyrosine kinase	0.0019	0.0499	0.0499
Echinococcus multilocularis	tubulin alpha chain	0.0015	0.0276	0.0276
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Trypanosoma cruzi	epsilon tubulin, putative	0.0015	0.0276	0.5
Schistosoma mansoni	growth factor receptor-bound protein	0.0015	0.0296	0.0296
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Schistosoma mansoni	tyrosine kinase	0.0054	0.2806	0.2806
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0019	0.0499	0.0499
Trypanosoma brucei	beta tubulin	0.0015	0.0276	0.5
Echinococcus granulosus	tubulin beta 1 chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0015	0.0276	0.0276
Brugia malayi	Variant SH3 domain containing protein	0.0015	0.0296	0.0296
Echinococcus multilocularis	tubulin subunit beta	0.0015	0.0276	0.0276
Echinococcus granulosus	tubulin beta 4A class IVa	0.0015	0.0276	0.0276
Brugia malayi	tubulin alpha chain - mouse	0.0015	0.0276	0.0276
Schistosoma mansoni	growth factor receptor-bound protein	0.0015	0.0296	0.0296
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0019	0.0499	0.0499
Echinococcus multilocularis	c src tyrosine kinase	0.0019	0.0499	0.0499
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	0.0276	0.5
Echinococcus granulosus	beta tubulin	0.0015	0.0276	0.0276
Schistosoma mansoni	tubulin subunit beta	0.0015	0.0276	0.0276
Echinococcus granulosus	tubulin subunit beta	0.0015	0.0276	0.0276
Onchocerca volvulus		0.0011	0	0.5
Trypanosoma brucei	tubulin gamma chain	0.0015	0.0276	0.5
Echinococcus granulosus	tubulin alpha chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0019	0.0499	0.0499
Schistosoma mansoni	tubulin subunit epsilon	0.0015	0.0276	0.0276
Loa Loa (eye worm)	alpha-tubulin	0.0015	0.0276	0.0276
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0019	0.0499	0.0499
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0015	0.0296	0.0296
Echinococcus multilocularis	tubulin alpha chain	0.0015	0.0276	0.0276
Entamoeba histolytica	tubulin alpha-1 chain	0.0015	0.0276	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0015	0.0276	0.0276
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0163	1	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0019	0.0499	0.0499
Schistosoma mansoni	tubulin subunit alpha	0.0015	0.0276	0.0276
Trichomonas vaginalis	tubulin, putative	0.0015	0.0276	0.5
Echinococcus granulosus	tubulin subunit TubB	0.0015	0.0276	0.0276
Entamoeba histolytica	tubulin family protein	0.0015	0.0276	1
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0015	0.0276	0.0276
Echinococcus granulosus	growth factor receptor bound protein 2	0.0015	0.0296	0.0296
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Echinococcus multilocularis		0.005	0.2556	0.2556
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0019	0.0499	0.0499
Echinococcus multilocularis	tubulin alpha 1C chain	0.0015	0.0276	0.0276
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0019	0.0499	0.0499
Loa Loa (eye worm)	acyl-CoA oxidase	0.0033	0.1434	0.1434
Schistosoma mansoni	alpha tubulin	0.0015	0.0276	0.0276
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0015	0.0296	0.0296
Schistosoma mansoni	tyrosine kinase	0.0086	0.4904	0.4904
Echinococcus multilocularis	peroxisome assembly protein 26	0.0015	0.0276	0.0276
Loa Loa (eye worm)	beta-tubulin	0.0015	0.0276	0.0276
Plasmodium vivax	tubulin beta chain, putative	0.0015	0.0276	0.5
Trichomonas vaginalis	tubulin gamma chain, putative	0.0015	0.0276	0.5
Echinococcus multilocularis	NCK adaptor protein	0.0015	0.0296	0.0296
Loa Loa (eye worm)	TK/INSR protein kinase	0.0054	0.2806	0.2806
Loa Loa (eye worm)	BEN-1 protein	0.0015	0.0276	0.0276
Trypanosoma brucei	alpha tubulin	0.0015	0.0276	0.5
Plasmodium falciparum	tubulin gamma chain	0.0015	0.0276	0.5
Leishmania major	beta tubulin	0.0015	0.0276	0.5
Trypanosoma brucei	beta tubulin	0.0015	0.0276	0.5
Trypanosoma cruzi	beta tubulin, putative	0.0015	0.0276	0.5
Loa Loa (eye worm)	tubulin alpha chain	0.0015	0.0276	0.0276
Leishmania major	alpha tubulin	0.0015	0.0276	0.5
Trypanosoma brucei	beta tubulin	0.0015	0.0276	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 36 %	Metabolic stability of the compound as percent of drug remaining after incubation with human liver S9 for 30 min was determined	ChEMBL.	15546720
IC50 (functional)	= 1.56 uM	Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria	ChEMBL.	15546720
IC50 (functional)	= 1.56 uM	Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria	ChEMBL.	15546720

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: CHEMBL185771
PubChem: 21027564

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 327259