TDR Targets

Basic information

Technical information

TDR Targets ID: 435066
Name: 3-[3-[3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-t riazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahyd ro-3-benzazepin-8-yl]-5-methyl-1,2-oxazole
MW: 494.051 | Formula: C26H28ClN5OS
H donors: 0 H acceptors: 3 LogP: 5.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1onc(c1)c1ccc2c(c1)CCN(CC2)CCCSc1nnc(n1C)c1cccc(c1)Cl
InChi: 1S/C26H28ClN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3
InChiKey: DEIXGWIQADAVTO-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-[3-[3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-8-yl]-5-methyl-isoxazole
3-[3-[3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]-1,2,4,5-tetrahydro-3-benzazepin-8-yl]-5-methylisoxazole
3-[3-[3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]-1,2,4,5-tetrahydro-3-benzazepin-8-yl]-5-methyl-isoxazole
3-[3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-8-(5-methyl-1,2-oxazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepine
3-[3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-8-(5-methylisoxazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepine
3-[3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]-8-(5-methyl-3-isoxazolyl)-1,2,4,5-tetrahydro-3-benzazepine
3-[3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]-8-(5-methylisoxazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D3	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	tubulin alpha chain, putative	0.0039	0.1589	0.0616
Echinococcus granulosus	beta tubulin	0.0177	1	1
Plasmodium falciparum	tubulin beta chain	0.0177	1	1
Schistosoma mansoni	tubulin subunit gamma	0.0069	0.3411	0.3411
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Giardia lamblia	Alpha-tubulin	0.0069	0.3411	0.2648
Echinococcus multilocularis	tubulin alpha 1C chain	0.0069	0.3411	0.3411
Echinococcus multilocularis	peroxisome assembly protein 26	0.0069	0.3411	0.3411
Toxoplasma gondii	beta-1 tubulin, putative	0.0177	1	1
Echinococcus multilocularis	tubulin delta chain	0.003	0.1037	0.1037
Leishmania major	beta tubulin	0.0177	1	1
Trypanosoma cruzi	tubulin gamma chain	0.0069	0.3411	0.2648
Leishmania major	epsilon tubulin, putative	0.0069	0.3411	0.2648
Echinococcus granulosus	tubulin alpha chain	0.0069	0.3411	0.3411
Leishmania major	beta tubulin	0.0177	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0069	0.3411	0.2648
Schistosoma mansoni	alpha tubulin	0.0069	0.3411	0.3411
Echinococcus granulosus	tubulin alpha 3 chain	0.0069	0.3411	0.3411
Loa Loa (eye worm)	tubulin alpha chain	0.0069	0.3411	0.3411
Trypanosoma brucei	alpha tubulin	0.0069	0.3411	0.2648
Toxoplasma gondii	alpha tubulin TUBA1	0.0069	0.3411	0.2648
Echinococcus granulosus	tubulin alpha chain	0.0069	0.3411	0.3411
Echinococcus multilocularis	tubulin alpha chain	0.0069	0.3411	0.3411
Brugia malayi	Tubulin beta chain	0.003	0.1037	0.1037
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Schistosoma mansoni	tubulin subunit epsilon	0.0069	0.3411	0.3411
Mycobacterium tuberculosis	Cell division protein FtsZ	0.003	0.1037	0.5
Echinococcus multilocularis	tubulin epsilon chain	0.0069	0.3411	0.3411
Plasmodium falciparum	alpha tubulin 1	0.0069	0.3411	0.2648
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.1923	0.1923
Plasmodium vivax	tubulin epsilon chain, putative	0.0069	0.3411	0.2648
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0039	0.1589	0.1589
Leishmania major	beta tubulin	0.0177	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0069	0.3411	0.3411
Loa Loa (eye worm)	beta-tubulin	0.0177	1	1
Leishmania major	gamma-tubulin	0.0069	0.3411	0.2648
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Toxoplasma gondii	beta-tubulin, putative	0.0177	1	1
Schistosoma mansoni	tubulin subunit beta	0.003	0.1037	0.1037
Trypanosoma cruzi	beta tubulin, putative	0.0177	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0177	1	1
Giardia lamblia	Beta tubulin	0.0177	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0069	0.3411	0.3411
Echinococcus multilocularis	tubulin alpha chain	0.0069	0.3411	0.3411
Leishmania major	beta tubulin	0.0177	1	1
Leishmania major	beta tubulin	0.0177	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0069	0.3411	0.3411
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0069	0.3411	0.2648
Giardia lamblia	Gamma tubulin	0.0069	0.3411	0.2648
Entamoeba histolytica	tubulin family protein	0.0177	1	1
Schistosoma mansoni	tubulin subunit alpha	0.003	0.1037	0.1037
Leishmania major	beta tubulin	0.0177	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0069	0.3411	0.3411
Echinococcus granulosus	tubulin gamma 1 chain	0.0069	0.3411	0.3411
Loa Loa (eye worm)	BEN-1 protein	0.0177	1	1
Schistosoma mansoni	tubulin subunit beta	0.0177	1	1
Leishmania major	beta tubulin	0.0177	1	1
Leishmania major	beta tubulin	0.0177	1	1
Echinococcus granulosus	tubulin delta chain	0.003	0.1037	0.1037
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0039	0.1589	0.0616
Leishmania major	beta tubulin	0.0177	1	1
Brugia malayi	Tubulin alpha chain	0.0069	0.3411	0.3411
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Trichomonas vaginalis	tubulin, putative	0.0177	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0069	0.3411	0.3411
Echinococcus multilocularis	tubulin alpha	0.0069	0.3411	0.3411
Trichomonas vaginalis	tubulin alpha chain, putative	0.0069	0.3411	0.2648
Brugia malayi	Cell division protein ftsZ	0.003	0.1037	0.1037
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0069	0.3411	0.3411
Trypanosoma brucei	beta tubulin	0.0177	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0039	0.1589	0.1589
Plasmodium falciparum	tubulin gamma chain	0.0069	0.3411	0.2648
Echinococcus multilocularis	Tubulin beta 2C chain	0.0177	1	1
Mycobacterium ulcerans	cell division protein FtsZ	0.003	0.1037	0.5
Plasmodium vivax	tubulin beta chain, putative	0.0177	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0177	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0069	0.3411	0.3411
Echinococcus multilocularis	tubulin alpha chain	0.0069	0.3411	0.3411
Giardia lamblia	Alpha-tubulin	0.0069	0.3411	0.2648
Echinococcus granulosus	alpha tubulin	0.0069	0.3411	0.3411
Loa Loa (eye worm)	hypothetical protein	0.003	0.1037	0.1037
Echinococcus multilocularis	Tubulin beta 2C chain	0.0177	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0069	0.3411	0.3411
Leishmania major	beta tubulin	0.0177	1	1
Echinococcus multilocularis	tubulin gamma 1 chain	0.0069	0.3411	0.3411
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0069	0.3411	0.2648
Trypanosoma brucei	beta tubulin	0.0177	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0177	1	1
Trypanosoma brucei	alpha tubulin	0.0069	0.3411	0.2648
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.2172	0.2172
Plasmodium falciparum	alpha tubulin 2	0.0069	0.3411	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1565	0.1565
Echinococcus granulosus	tubulin beta 1 chain	0.0177	1	1
Brugia malayi	Tubulin beta chain	0.0039	0.1589	0.1589
Echinococcus multilocularis	tubulin alpha 3 chain	0.0069	0.3411	0.3411
Trypanosoma brucei	alpha tubulin	0.0069	0.3411	0.2648
Echinococcus granulosus	tubulin alpha 3 chain	0.0069	0.3411	0.3411
Echinococcus multilocularis	beta tubulin	0.0177	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0177	1	1
Treponema pallidum	cell division protein FtsZ	0.003	0.1037	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.0039	0.1589	0.0616
Giardia lamblia	Beta tubulin	0.0177	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0177	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0177	1	1
Giardia lamblia	Beta tubulin	0.0177	1	1
Schistosoma mansoni	tubulin subunit beta	0.0177	1	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0069	0.3411	0.3411
Loa Loa (eye worm)	tubulin alpha 2	0.0039	0.1589	0.1589
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Schistosoma mansoni	tubulin subunit beta	0.0177	1	1
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Trypanosoma brucei	beta tubulin	0.0069	0.3411	0.2648
Trichomonas vaginalis	tubulin beta chain, putative	0.0069	0.3411	0.2648
Trypanosoma brucei	beta tubulin	0.0177	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.2172	0.2172
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Loa Loa (eye worm)	alpha-tubulin	0.0069	0.3411	0.3411
Mycobacterium leprae	cell division protein FtsZ	0.003	0.1037	0.5
Loa Loa (eye worm)	tubulin beta-2A chain	0.0177	1	1
Onchocerca volvulus		0.0039	0.1589	0.5
Loa Loa (eye worm)	hypothetical protein	0.0069	0.3411	0.3411
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0069	0.3411	0.2648
Brugia malayi	alpha-tubulin	0.0069	0.3411	0.3411
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0177	1	1
Leishmania major	beta tubulin	0.0177	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0069	0.3411	0.3411
Trichomonas vaginalis	tubulin, putative	0.0039	0.1589	0.0616
Echinococcus granulosus	Tubulin beta 2C chain	0.0177	1	1
Leishmania major	beta tubulin	0.0177	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0177	1	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0069	0.3411	0.2648
Brugia malayi	Tubulin gamma chain	0.0069	0.3411	0.3411
Brugia malayi	Tubulin alpha-2 chain	0.0069	0.3411	0.3411
Trichomonas vaginalis	tubulin, putative	0.0039	0.1589	0.0616
Loa Loa (eye worm)	alpha-tubulin	0.0069	0.3411	0.3411
Trypanosoma brucei	epsilon tubulin	0.0069	0.3411	0.2648
Trypanosoma brucei	epsilon tubulin	0.0069	0.3411	0.2648
Trichomonas vaginalis	tubulin gamma chain, putative	0.0069	0.3411	0.2648
Schistosoma mansoni	tubulin subunit beta	0.0177	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0069	0.3411	0.3411
Loa Loa (eye worm)	tubulin gamma chain	0.0069	0.3411	0.3411
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0069	0.3411	0.3411
Echinococcus granulosus	tubulin alpha	0.0069	0.3411	0.3411
Schistosoma mansoni	alpha tubulin	0.0069	0.3411	0.3411
Schistosoma mansoni	tubulin subunit beta	0.0177	1	1
Leishmania major	beta tubulin	0.0177	1	1
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.003	0.1037	0.5
Echinococcus multilocularis	tubulin alpha 1C chain	0.0069	0.3411	0.3411
Leishmania major	beta tubulin	0.0177	1	1
Schistosoma mansoni	alpha tubulin	0.0069	0.3411	0.3411
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Echinococcus granulosus	tubulin subunit TubB	0.0069	0.3411	0.3411
Leishmania major	beta tubulin	0.0177	1	1
Brugia malayi	tubulin alpha chain - mouse	0.0069	0.3411	0.3411
Loa Loa (eye worm)	BEN-1 protein	0.0177	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0069	0.3411	0.3411
Loa Loa (eye worm)	tubulin alpha chain	0.0069	0.3411	0.3411
Echinococcus multilocularis	tubulin alpha chain	0.0069	0.3411	0.3411
Echinococcus multilocularis	tubulin beta 1 chain	0.0177	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0069	0.3411	0.2648
Schistosoma mansoni	tubulin subunit alpha	0.0069	0.3411	0.3411
Entamoeba histolytica	tubulin family protein	0.0177	1	1
Echinococcus granulosus	tubulin epsilon chain	0.0069	0.3411	0.3411
Echinococcus granulosus	tubulin alpha chain	0.0069	0.3411	0.3411
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.1923	0.1923
Leishmania major	beta tubulin	0.0177	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0177	1	1
Brugia malayi	tubulin alpha-2 chain	0.0069	0.3411	0.3411
Trypanosoma brucei	epsilon tubulin	0.0069	0.3411	0.2648
Trypanosoma cruzi	alpha tubulin, putative	0.0069	0.3411	0.2648
Plasmodium falciparum	tubulin epsilon chain, putative	0.0069	0.3411	0.2648
Leishmania major	beta tubulin	0.0177	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0069	0.3411	0.2648
Echinococcus granulosus	Tubulin beta 2C chain	0.0177	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0069	0.3411	0.2648
Trichomonas vaginalis	tubulin beta chain, putative	0.0069	0.3411	0.2648
Echinococcus granulosus	Tubulin alpha 1 chain	0.0069	0.3411	0.3411
Loa Loa (eye worm)	tubulin alpha-3 chain	0.003	0.1037	0.1037
Loa Loa (eye worm)	tubulin beta-4 chain	0.0177	1	1
Echinococcus multilocularis	beta tubulin	0.0177	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0177	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0177	1	1
Trypanosoma brucei	beta tubulin	0.0177	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0039	0.1589	0.0616
Trypanosoma cruzi	epsilon tubulin, putative	0.0069	0.3411	0.2648
Plasmodium vivax	tubulin gamma chain, putative	0.0069	0.3411	0.2648
Toxoplasma gondii	beta tubulin	0.0177	1	1
Schistosoma mansoni	tubulin subunit delta	0.003	0.1037	0.1037
Trichomonas vaginalis	tubulin beta chain, putative	0.0069	0.3411	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1589	0.1589
Trichomonas vaginalis	tubulin alpha chain, putative	0.0177	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0069	0.3411	0.2648
Trypanosoma brucei	alpha tubulin	0.0069	0.3411	0.2648
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.1745	0.079
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.1923	0.1923
Echinococcus granulosus	tubulin alpha chain	0.0069	0.3411	0.3411
Echinococcus multilocularis	tubulin alpha chain	0.0069	0.3411	0.3411
Echinococcus multilocularis	hypothetical protein	0.0069	0.3411	0.3411
Trichomonas vaginalis	tubulin beta chain, putative	0.0069	0.3411	0.2648
Echinococcus granulosus	beta tubulin	0.0177	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0069	0.3411	0.2648
Brugia malayi	Tubulin alpha chain	0.003	0.1037	0.1037
Leishmania major	beta tubulin	0.0177	1	1
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.1745	0.079
Loa Loa (eye worm)	tubulin beta chain	0.003	0.1037	0.1037
Echinococcus multilocularis	Tubulin beta 2C chain	0.0177	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0039	0.1589	0.0616
Echinococcus granulosus	Tubulin beta 2C chain	0.0177	1	1
Trypanosoma brucei	tubulin gamma chain	0.0069	0.3411	0.2648
Brugia malayi	beta-tubulin, identical	0.0177	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.1923	0.1923
Brugia malayi	Tubulin alpha-2 chain	0.0069	0.3411	0.3411
Trichomonas vaginalis	tubulin beta chain, putative	0.0069	0.3411	0.2648
Echinococcus granulosus	tubulin alpha chain	0.0069	0.3411	0.3411
Trichomonas vaginalis	tubulin alpha chain, putative	0.0039	0.1589	0.0616
Echinococcus granulosus	tubulin subunit beta	0.0177	1	1
Echinococcus multilocularis	tubulin subunit beta	0.0177	1	1
Schistosoma mansoni	tubulin subunit beta	0.0177	1	1
Leishmania major	alpha tubulin	0.0069	0.3411	0.2648
Trypanosoma brucei	alpha tubulin, putative	0.0039	0.1589	0.0616
Trichomonas vaginalis	tubulin beta chain, putative	0.0177	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.1	Displacement of [3H]dofetilide from hERG expressed in CHO cells	ChEMBL.	17867665
Ki (functional)	= 6.7	Displacement of [35S]GTPgammaS from human cloned dopamine D2 receptor expressed in CHO cells after 30 mins	ChEMBL.	17867665
Ki (functional)	= 8.8	Displacement of [35S]GTPgammaS from human cloned dopamine D3 receptor expressed in CHO cells after 30 mins	ChEMBL.	17867665
Log IC50 (binding)	= 7.1	Displacement of [3H]dofetilide from hERG expressed in CHO cells	ChEMBL.	17867665
Log Ki (functional)	= 6.7	Displacement of [35S]GTPgammaS from human cloned dopamine D2 receptor expressed in CHO cells after 30 mins	ChEMBL.	17867665
Log Ki (functional)	= 8.8	Displacement of [35S]GTPgammaS from human cloned dopamine D3 receptor expressed in CHO cells after 30 mins	ChEMBL.	17867665
pKb (functional)	= 7.4	Binding affinity to human histamine H1 receptor expressed in CHO cells by FLIPR assay	ChEMBL.	17867665
pKb (functional)	= 7.4	Binding affinity to human histamine H1 receptor expressed in CHO cells by FLIPR assay	ChEMBL.	17867665

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.

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External resources for this compound

ChEMBL: CHEMBL244278
PubChem: 23631092

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 435066