TDR Targets

Basic information

Technical information

TDR Targets ID: 351865
Name: methyl 4-(2-pyrrolidin-1-ylpentanoyl)benzoate
MW: 289.369 | Formula: C17H23NO3
H donors: 0 H acceptors: 2 LogP: 3.3 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(C(=O)c1ccc(cc1)C(=O)OC)N1CCCC1
InChi: 1S/C17H23NO3/c1-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(10-8-13)17(20)21-2/h7-10,15H,3-6,11-12H2,1-2H3
InChiKey: RUCXEVOCSDADAL-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

4-[1-oxo-2-(1-pyrrolidinyl)pentyl]benzoic acid methyl ester
4-(2-pyrrolidinopentanoyl)benzoic acid methyl ester
4-(1-oxo-2-1-pyrrolidinylpentyl)benzoic acid methyl ester
4-(2-pyrrolidin-1-ylpentanoyl)benzoic acid methyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 2	617 aa	638 aa	32.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tubulin alpha 1C chain	0.1526	0.6775	0.6775
Brugia malayi	Tubulin alpha chain	0.0494	0.1763	0.1763
Schistosoma mansoni	tubulin subunit beta	0.219	1	1
Leishmania major	beta tubulin	0.219	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0494	0.1763	0.1763
Echinococcus multilocularis	hypothetical protein	0.1526	0.6775	0.6775
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Trypanosoma cruzi	PAB1-binding protein , putative	0.0158	0.0131	0.0131
Trypanosoma brucei	zeta tubulin	0.0494	0.1763	0.1763
Loa Loa (eye worm)	hypothetical protein	0.1526	0.6775	0.6775
Trypanosoma brucei	tubulin gamma chain	0.1137	0.4889	0.4889
Trichomonas vaginalis	tubulin beta chain, putative	0.219	1	1
Schistosoma mansoni	tubulin subunit alpha	0.1526	0.6775	0.6775
Schistosoma mansoni	tubulin subunit alpha	0.0494	0.1763	0.1763
Echinococcus multilocularis	tubulin alpha chain	0.1526	0.6775	0.6775
Onchocerca volvulus		0.0644	0.2491	0.8022
Plasmodium falciparum	tubulin beta chain	0.219	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0494	0.1763	0.1763
Loa Loa (eye worm)	tubulin alpha 2	0.1032	0.4376	0.4376
Echinococcus multilocularis	peroxisome assembly protein 26	0.1526	0.6775	0.6775
Brugia malayi	Tubulin alpha chain	0.1526	0.6775	0.6775
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.219	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.1526	0.6775	0.6775
Echinococcus granulosus	tubulin alpha chain	0.1526	0.6775	0.6775
Loa Loa (eye worm)	tubulin beta chain	0.0494	0.1763	0.1763
Echinococcus granulosus	tubulin subunit TubB	0.1526	0.6775	0.6775
Trypanosoma brucei	beta tubulin	0.219	1	1
Brugia malayi	Tubulin alpha-2 chain	0.1526	0.6775	0.6775
Plasmodium vivax	delta tubulin, putative	0.0494	0.1763	0.1763
Echinococcus multilocularis	tubulin beta 1 chain	0.219	1	1
Loa Loa (eye worm)	BEN-1 protein	0.219	1	1
Echinococcus multilocularis	beta tubulin	0.219	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.1137	0.4889	0.3795
Entamoeba histolytica	tubulin family protein	0.219	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0158	0.0131	0.0131
Trypanosoma brucei	alpha tubulin	0.1526	0.6775	0.6775
Plasmodium vivax	tubulin alpha chain, putative	0.1526	0.6775	0.6775
Leishmania major	beta tubulin	0.219	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.219	1	1
Schistosoma mansoni	tubulin subunit beta	0.219	1	1
Schistosoma mansoni	hypothetical protein	0.1402	0.6177	0.6177
Echinococcus multilocularis	Tubulin beta 2C chain	0.219	1	1
Loa Loa (eye worm)	hypothetical protein	0.0882	0.3649	0.3649
Brugia malayi	MH2 domain containing protein	0.0745	0.2984	0.2984
Brugia malayi	Tubulin beta chain	0.0494	0.1763	0.1763
Brugia malayi	Tubulin gamma chain	0.1137	0.4889	0.4889
Echinococcus granulosus	tubulin alpha	0.1137	0.4889	0.4889
Toxoplasma gondii	beta-1 tubulin, putative	0.219	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.0783	0.0783
Echinococcus multilocularis	tubulin epsilon chain	0.1137	0.4889	0.4889
Toxoplasma gondii	LsmAD domain-containing protein	0.0158	0.0131	0.0131
Plasmodium vivax	ataxin-2 like protein, putative	0.0158	0.0131	0.0131
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.0783	0.0783
Trichomonas vaginalis	tubulin beta chain, putative	0.1526	0.6775	0.6084
Trichomonas vaginalis	tubulin alpha chain, putative	0.0644	0.2491	0.0883
Trypanosoma brucei	beta tubulin	0.219	1	1
Loa Loa (eye worm)	hypothetical protein	0.1032	0.4376	0.4376
Schistosoma mansoni	tubulin subunit beta	0.219	1	1
Echinococcus granulosus	tubulin delta chain	0.0494	0.1763	0.1763
Echinococcus granulosus	tubulin alpha 1C chain	0.1526	0.6775	0.6775
Trypanosoma brucei	beta tubulin	0.219	1	1
Trypanosoma brucei	beta tubulin	0.219	1	1
Trypanosoma brucei	epsilon tubulin	0.1137	0.4889	0.4889
Trypanosoma brucei	alpha tubulin	0.1526	0.6775	0.6775
Trichomonas vaginalis	tubulin epsilon chain, putative	0.1526	0.6775	0.6084
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0783	0.0783
Schistosoma mansoni	tubulin subunit alpha	0.1526	0.6775	0.6775
Plasmodium falciparum	alpha tubulin 1	0.1526	0.6775	0.6775
Trichomonas vaginalis	tubulin beta chain, putative	0.0644	0.2491	0.0883
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.1526	0.6775	0.6084
Loa Loa (eye worm)	alpha-tubulin	0.1526	0.6775	0.6775
Echinococcus multilocularis	tubulin delta chain	0.0494	0.1763	0.1763
Echinococcus granulosus	tubulin alpha chain	0.1526	0.6775	0.6775
Schistosoma mansoni	tubulin subunit epsilon	0.1137	0.4889	0.4889
Toxoplasma gondii	alpha tubulin TUBA1	0.1526	0.6775	0.6775
Echinococcus granulosus	tubulin epsilon chain	0.1137	0.4889	0.4889
Echinococcus granulosus	tubulin alpha 3 chain	0.1526	0.6775	0.6775
Trichomonas vaginalis	tubulin, putative	0.219	1	1
Brugia malayi	tubulin alpha-2 chain	0.1526	0.6775	0.6775
Loa Loa (eye worm)	tubulin alpha chain	0.1526	0.6775	0.6775
Loa Loa (eye worm)	pax transcription factor protein 2	0.0763	0.3073	0.3073
Brugia malayi	hypothetical protein	0.0158	0.0131	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0157	0.013	0.013
Trypanosoma cruzi	beta tubulin, putative	0.219	1	1
Leishmania major	beta tubulin	0.219	1	1
Echinococcus granulosus	tubulin alpha chain	0.1526	0.6775	0.6775
Entamoeba histolytica	tubulin alpha-1 chain	0.1526	0.6775	0.6621
Mycobacterium ulcerans	cell division protein FtsZ	0.0494	0.1763	0.5
Leishmania major	beta tubulin	0.219	1	1
Leishmania major	beta tubulin	0.219	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.0783	0.0783
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0494	0.1763	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.219	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.219	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.219	1	1
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Schistosoma mansoni	alpha tubulin	0.1526	0.6775	0.6775
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0882	0.3649	0.2289
Leishmania major	beta tubulin	0.219	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.1526	0.6775	0.6775
Trypanosoma cruzi	PAB1-binding protein , putative	0.0158	0.0131	0.0131
Brugia malayi	tubulin alpha chain - mouse	0.1526	0.6775	0.6775
Onchocerca volvulus		0.0292	0.0783	0.222
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0494	0.1763	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0644	0.2491	0.0883
Schistosoma mansoni	tubulin subunit beta	0.0494	0.1763	0.1763
Schistosoma mansoni	tubulin subunit beta	0.219	1	1
Mycobacterium leprae	cell division protein FtsZ	0.0494	0.1763	0.5
Echinococcus granulosus	tubulin beta 1 chain	0.219	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.1526	0.6775	0.6084
Trichomonas vaginalis	tubulin alpha chain, putative	0.219	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.219	1	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.1137	0.4889	0.4889
Echinococcus multilocularis	Tubulin alpha 1 chain	0.1526	0.6775	0.6775
Loa Loa (eye worm)	MH2 domain-containing protein	0.0745	0.2984	0.2984
Giardia lamblia	Beta tubulin	0.219	1	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.219	1	1
Trypanosoma cruzi	tubulin delta chain	0.0494	0.1763	0.1763
Loa Loa (eye worm)	transcription factor SMAD2	0.0745	0.2984	0.2984
Echinococcus granulosus	tubulin alpha 1C chain	0.1526	0.6775	0.6775
Trypanosoma brucei	zeta tubulin, putative	0.0494	0.1763	0.1763
Leishmania major	beta tubulin	0.219	1	1
Brugia malayi	Pax transcription factor protein 2	0.0763	0.3073	0.3073
Echinococcus multilocularis	tubulin alpha chain	0.1526	0.6775	0.6775
Echinococcus multilocularis	serotonin transporter	0.0292	0.0783	0.0783
Echinococcus granulosus	Tubulin beta 2C chain	0.219	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0388	0.125	0.125
Plasmodium falciparum	alpha tubulin 2	0.1526	0.6775	0.6775
Entamoeba histolytica	tubulin gamma chain	0.1137	0.4889	0.4646
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Toxoplasma gondii	alpha-tubulin I, putative	0.1526	0.6775	0.6775
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.0783	0.0783
Brugia malayi	Cell division protein ftsZ	0.0494	0.1763	0.1763
Trichomonas vaginalis	tubulin alpha chain, putative	0.0644	0.2491	0.0883
Echinococcus multilocularis	tubulin alpha chain	0.1526	0.6775	0.6775
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Toxoplasma gondii	beta tubulin	0.219	1	1
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.1032	0.4376	0.4376
Leishmania major	beta tubulin	0.219	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.1526	0.6775	0.6775
Echinococcus granulosus	Tubulin beta 2C chain	0.219	1	1
Leishmania major	beta tubulin	0.219	1	1
Echinococcus multilocularis	tubulin alpha chain	0.1526	0.6775	0.6775
Echinococcus granulosus	serotonin transporter	0.0292	0.0783	0.0783
Giardia lamblia	Gamma tubulin	0.1137	0.4889	0.3795
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Brugia malayi	beta-tubulin, identical	0.219	1	1
Trypanosoma brucei	epsilon tubulin	0.1137	0.4889	0.4889
Trypanosoma cruzi	zeta tubulin, putative	0.0494	0.1763	0.1763
Plasmodium falciparum	ataxin-2 like protein, putative	0.0158	0.0131	0.0131
Plasmodium vivax	tubulin epsilon chain, putative	0.1137	0.4889	0.4889
Trypanosoma cruzi	epsilon tubulin, putative	0.1137	0.4889	0.4889
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0224	0.0454	0.0454
Schistosoma mansoni	tubulin subunit beta	0.219	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.1526	0.6775	0.6775
Trypanosoma cruzi	tubulin gamma chain	0.1137	0.4889	0.4889
Leishmania major	beta tubulin	0.219	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.1137	0.4889	0.3795
Echinococcus multilocularis	Tubulin beta 2C chain	0.219	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.1137	0.4889	0.4889
Echinococcus multilocularis	Tubulin alpha 1 chain	0.1526	0.6775	0.6775
Echinococcus granulosus	tubulin gamma 1 chain	0.1137	0.4889	0.4889
Trichomonas vaginalis	tubulin gamma chain, putative	0.1137	0.4889	0.3795
Plasmodium vivax	tubulin gamma chain, putative	0.1137	0.4889	0.4889
Trypanosoma cruzi	epsilon tubulin, putative	0.1137	0.4889	0.4889
Trypanosoma brucei	alpha tubulin	0.1526	0.6775	0.6775
Leishmania major	beta tubulin	0.219	1	1
Giardia lamblia	Alpha-tubulin	0.1526	0.6775	0.6084
Leishmania major	hypothetical protein, conserved	0.0158	0.0131	0.0131
Entamoeba histolytica	tubulin alpha chain, putative	0.1526	0.6775	0.6621
Plasmodium vivax	tubulin beta chain, putative	0.219	1	1
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Giardia lamblia	Beta tubulin	0.219	1	1
Loa Loa (eye worm)	tubulin beta chain	0.219	1	1
Echinococcus multilocularis	tubulin alpha chain	0.1526	0.6775	0.6775
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Plasmodium falciparum	tubulin delta chain, putative	0.0494	0.1763	0.1763
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0494	0.1763	0.1763
Trichomonas vaginalis	tubulin beta chain, putative	0.1526	0.6775	0.6084
Echinococcus multilocularis	geminin	0.1402	0.6177	0.6177
Echinococcus multilocularis	tubulin alpha 1C chain	0.1526	0.6775	0.6775
Brugia malayi	hypothetical protein	0.0224	0.0454	0.0454
Echinococcus granulosus	tubulin alpha chain	0.1526	0.6775	0.6775
Leishmania major	alpha tubulin	0.1526	0.6775	0.6775
Echinococcus granulosus	Tubulin alpha 1 chain	0.1526	0.6775	0.6775
Leishmania major	beta tubulin	0.219	1	1
Leishmania major	epsilon tubulin, putative	0.1137	0.4889	0.4889
Leishmania major	beta tubulin	0.219	1	1
Trypanosoma cruzi	tubulin delta chain	0.0494	0.1763	0.1763
Echinococcus granulosus	beta tubulin	0.219	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.1032	0.4376	0.4376
Loa Loa (eye worm)	tubulin alpha-2 chain	0.1526	0.6775	0.6775
Echinococcus granulosus	Tubulin beta 2C chain	0.219	1	1
Onchocerca volvulus		0.0763	0.3073	1
Schistosoma mansoni	hypothetical protein	0.1402	0.6177	0.6177
Trichomonas vaginalis	tubulin epsilon chain, putative	0.219	1	1
Leishmania major	delta tubulin, putative	0.0494	0.1763	0.1763
Echinococcus granulosus	geminin	0.1402	0.6177	0.6177
Trichomonas vaginalis	tubulin beta chain, putative	0.1526	0.6775	0.6084
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.1032	0.4376	0.3172
Echinococcus multilocularis	tubulin subunit beta	0.219	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.219	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.1526	0.6775	0.6775
Schistosoma mansoni	alpha tubulin	0.1526	0.6775	0.6775
Echinococcus granulosus	peroxisome assembly protein 26	0.1526	0.6775	0.6775
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0882	0.3649	0.3649
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0783	0.0783
Schistosoma mansoni	tubulin subunit beta	0.219	1	1
Loa Loa (eye worm)	alpha-tubulin	0.1526	0.6775	0.6775
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0783	0.0783
Trichomonas vaginalis	tubulin beta chain, putative	0.1526	0.6775	0.6084
Loa Loa (eye worm)	tubulin beta-2A chain	0.219	1	1
Trypanosoma brucei	tubulin delta chain	0.0494	0.1763	0.1763
Echinococcus multilocularis	tubulin alpha	0.1137	0.4889	0.4889
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.0783	0.0783
Leishmania major	beta tubulin	0.219	1	1
Trypanosoma brucei	epsilon tubulin	0.1137	0.4889	0.4889
Schistosoma mansoni	tubulin subunit gamma	0.1137	0.4889	0.4889
Loa Loa (eye worm)	tubulin alpha chain	0.1526	0.6775	0.6775
Schistosoma mansoni	alpha tubulin	0.1526	0.6775	0.6775
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0224	0.0454	0.0454
Trypanosoma brucei	alpha tubulin	0.1526	0.6775	0.6775
Giardia lamblia	Beta tubulin	0.219	1	1
Entamoeba histolytica	tubulin family protein	0.219	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0644	0.2491	0.0883
Echinococcus granulosus	tubulin subunit beta	0.219	1	1
Treponema pallidum	cell division protein FtsZ	0.0494	0.1763	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.1526	0.6775	0.6084
Schistosoma mansoni	transcription factor LCR-F1	0.0224	0.0454	0.0454
Giardia lamblia	Alpha-tubulin	0.1526	0.6775	0.6084
Echinococcus granulosus	alpha tubulin	0.1526	0.6775	0.6775
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0131	0.0131
Leishmania major	beta tubulin	0.219	1	1
Leishmania major	beta tubulin	0.219	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.219	1	1
Brugia malayi	Tubulin beta chain	0.0644	0.2491	0.2491
Plasmodium falciparum	tubulin gamma chain	0.1137	0.4889	0.4889
Trichomonas vaginalis	tubulin beta chain, putative	0.1526	0.6775	0.6084
Loa Loa (eye worm)	BEN-1 protein	0.219	1	1
Schistosoma mansoni	tubulin subunit alpha	0.1526	0.6775	0.6775
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.0783	0.0783
Brugia malayi	alpha-tubulin	0.1526	0.6775	0.6775
Leishmania major	zeta tubulin, putative	0.0494	0.1763	0.1763
Echinococcus multilocularis	Tubulin beta 2C chain	0.219	1	1
Schistosoma mansoni	hypothetical protein	0.0224	0.0454	0.0454
Leishmania major	beta tubulin	0.219	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.1526	0.6775	0.6775
Trichomonas vaginalis	tubulin, putative	0.0644	0.2491	0.0883
Loa Loa (eye worm)	tubulin gamma chain	0.1137	0.4889	0.4889
Toxoplasma gondii	beta-tubulin, putative	0.219	1	1
Brugia malayi	hypothetical protein	0.0157	0.013	0.013
Echinococcus multilocularis	tubulin gamma 1 chain	0.1137	0.4889	0.4889
Trichomonas vaginalis	tubulin, putative	0.0644	0.2491	0.0883
Echinococcus granulosus	tubulin alpha 3 chain	0.1526	0.6775	0.6775
Plasmodium vivax	tubulin alpha chain, putative	0.1526	0.6775	0.6775
Schistosoma mansoni	tubulin subunit delta	0.0494	0.1763	0.1763
Echinococcus granulosus	tubulin alpha chain	0.1526	0.6775	0.6775
Echinococcus granulosus	beta tubulin	0.219	1	1
Leishmania major	gamma-tubulin	0.1137	0.4889	0.4889
Echinococcus multilocularis	tubulin alpha 3 chain	0.1526	0.6775	0.6775
Trypanosoma brucei	alpha tubulin, putative	0.0644	0.2491	0.2491
Leishmania major	beta tubulin	0.219	1	1
Brugia malayi	Tubulin alpha-2 chain	0.1526	0.6775	0.6775
Trypanosoma brucei	beta tubulin	0.1137	0.4889	0.4889
Trypanosoma brucei	PAB1-binding protein , putative	0.0158	0.0131	0.0131
Echinococcus multilocularis	Tubulin beta 2C chain	0.219	1	1
Loa Loa (eye worm)	beta-tubulin	0.219	1	1
Echinococcus multilocularis	beta tubulin	0.219	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 22.8 nM	Inhibition of [3H] norepinephrine uptake into human NET expressed in HEK293 cells	ChEMBL.	16480278
IC50 (functional)	= 22.8 nM	Inhibition of [3H] norepinephrine uptake into human NET expressed in HEK293 cells	ChEMBL.	16480278
IC50 (functional)	= 154 nM	Inhibition of [3H] dopamine uptake into human DAT expressed in HEK293 cells	ChEMBL.	16480278
IC50 (functional)	= 154 nM	Inhibition of [3H] dopamine uptake into human DAT expressed in HEK293 cells	ChEMBL.	16480278
IC50 (functional)	= 2350 nM	Inhibition of [3H] serotonin uptake into human SERT expressed in HEK293 cells	ChEMBL.	16480278
IC50 (functional)	= 2350 nM	Inhibition of [3H] serotonin uptake into human SERT expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	= 360 nM	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	= 360 nM	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	= 1140 nM	Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	= 1140 nM	Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	= 3650 nM	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	= 3650 nM	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells	ChEMBL.	16480278

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: CHEMBL201666
PubChem: 11415039

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 351865