TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.314 | Formula: C20H24BrNO2
H donors: 0 H acceptors: 0 LogP: 4.68 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)[C@@H]1CN2CCC[C@@H]2c2c1cccc2.Br
InChi: 1S/C20H23NO2.BrH/c1-22-19-10-9-14(12-20(19)23-2)17-13-21-11-5-8-18(21)16-7-4-3-6-15(16)17;/h3-4,6-7,9-10,12,17-18H,5,8,11,13H2,1-2H3;1H/t17-,18+;/m0./s1
InChiKey: RAXSRZNGWGREMZ-CJRXIRLBSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Dopamine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Norepinephrine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Sodium:neurotransmitter symporter family protein	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
Echinococcus multilocularis	serotonin transporter	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 mansoni	norepinephrine/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
Loa Loa (eye worm)	solute carrier family 6 member 4	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 japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		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)	serotonin transporter b	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	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	serotonin transporter	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
Loa Loa (eye worm)	hypothetical protein	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
Onchocerca volvulus	Transmembrane protein 120 homolog	Norepinephrine transporter	597 aa	577 aa	34.0 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Norepinephrine transporter	597 aa	545 aa	41.7 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	522 aa	22.0 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	534 aa	41.0 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Norepinephrine transporter	597 aa	513 aa	38.4 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Norepinephrine transporter	597 aa	501 aa	39.7 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Norepinephrine transporter	597 aa	569 aa	24.8 %
Plasmodium vivax	amine transporter, putative	Norepinephrine transporter	597 aa	483 aa	21.1 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	508 aa	32.7 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Norepinephrine transporter	597 aa	551 aa	47.4 %
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	Norepinephrine transporter	597 aa	549 aa	41.9 %
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	Norepinephrine transporter	597 aa	579 aa	22.1 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	548 aa	24.8 %
Loa Loa (eye worm)	hypothetical protein	Norepinephrine transporter	597 aa	551 aa	25.0 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	529 aa	41.6 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	540 aa	46.3 %
Neospora caninum	sodium-dependent transporter, putative	Norepinephrine transporter	597 aa	507 aa	30.4 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.0 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.5 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	554 aa	38.6 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	579 aa	35.1 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	570 aa	38.6 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	581 aa	34.6 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	595 aa	34.0 %
Plasmodium yoelii	hypothetical protein	Norepinephrine transporter	597 aa	478 aa	19.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0023	0.058
Entamoeba histolytica	hypothetical protein	0.0073	0.0057	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.0347	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0076	0.0061	0.156
Echinococcus multilocularis	survival motor neuron protein 1	0.0238	0.031	0.031
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0076	0.0061	0.156
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0088	0.0843
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0088	0.0843
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0061	0.156
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0021	0.5
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0021	0.0021
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0021	0.054
Brugia malayi	beta-lactamase family protein	0.0076	0.0061	0.156
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0021	0.0021
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.0347	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0021	0.3463
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0021	0.054
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.1854	0.2783	0.2739
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0021	0.0203
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0021	0.0203
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0021	0.3463
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.0088	0.2248
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.0192	0.0192
Schistosoma mansoni	alpha-glucosidase	0.0139	0.0157	0.1505
Onchocerca volvulus	Glucosylceramidase homolog	0.0172	0.0209	0.5083
Schistosoma mansoni	alpha-glucosidase	0.0139	0.0157	0.1505
Echinococcus granulosus	geminin	0.0183	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0392	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0088	0.0843
Echinococcus multilocularis	serotonin transporter	0.0292	0.0392	0.0392
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0021	0.054
Schistosoma mansoni	hypothetical protein	0.0183	0.0225	0.2155
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0209	0.602
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.6569	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0021	0.0203
Onchocerca volvulus		0.0093	0.0088	0.1828
Loa Loa (eye worm)	transcription factor SMAD2	0.0251	0.033	0.8401
Loa Loa (eye worm)	hypothetical protein	0.0238	0.031	0.7904
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0392	1
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.0392	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0021	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0392	1
Onchocerca volvulus		0.0076	0.0061	0.1113
Loa Loa (eye worm)	hypothetical protein	0.005	0.0021	0.054
Onchocerca volvulus		0.005	0.0021	0.004
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.0223	0.6429
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0061	0.1762
Onchocerca volvulus		0.005	0.0021	0.004
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.0392	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0488	0.0693	0.0693
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.002	0.0503
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0021	0.054
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0021	0.0203
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0209	0.602
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.0392	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0061	1
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0021	0.054
Onchocerca volvulus		0.0051	0.0023	0.0082
Echinococcus multilocularis	thymidine phosphorylase	0.6569	1	1
Echinococcus granulosus	microtubule associated protein 2	0.0719	0.1046	0.1046
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0161	0.0192	0.4888
Schistosoma mansoni	hypothetical protein	0.0049	0.002	0.0189
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.1854	0.2783	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0021	0.054
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0023	0.0218
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0021	0.0021
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0021	0.054
Plasmodium vivax	hypothetical protein, conserved	0.0076	0.0061	1
Schistosoma mansoni	microtubule-associated protein tau	0.0719	0.1046	1
Echinococcus multilocularis	tumor protein p63	0.0346	0.0474	0.0474
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0021	0.0021
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.0347	1
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.1854	0.2783	0.2739
Echinococcus multilocularis	geminin	0.0183	0.0225	0.0225
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0061	0.1762
Echinococcus granulosus	lysosomal alpha glucosidase	0.0161	0.0192	0.0192
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0061	0.0585
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0161	0.0192	0.4888
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0021	0.0203
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0076	0.0061	0.0061
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.0347	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.0392	0.3751
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0061	0.156
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0263	0.0347	0.8854
Mycobacterium ulcerans	thymidine phosphorylase	0.6569	1	1
Brugia malayi	hypothetical protein	0.0238	0.031	0.7904
Loa Loa (eye worm)	hypothetical protein	0.005	0.0021	0.054
Entamoeba histolytica	hypothetical protein	0.0073	0.0057	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0088	0.0088
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0021	0.0021
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0209	0.602
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.0347	1
Brugia malayi	hypothetical protein	0.0073	0.0057	0.1448
Echinococcus granulosus	serotonin transporter	0.0292	0.0392	0.0392
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0484	0.0686	0.0628
Leishmania major	hypothetical protein, conserved	0.0076	0.0061	1
Toxoplasma gondii	hypothetical protein	0.005	0.0021	0.3463
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0061	1
Onchocerca volvulus		0.0076	0.0061	0.1113
Echinococcus granulosus	neuropeptide receptor A26	0.0488	0.0693	0.0693
Echinococcus granulosus	beta LACTamase domain containing family member	0.0076	0.0061	0.0061
Trichomonas vaginalis	esterase, putative	0.0076	0.0061	0.1762
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.0192	0.0192
Entamoeba histolytica	hypothetical protein	0.0073	0.0057	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0061	0.156
Brugia malayi	hypothetical protein	0.005	0.0021	0.054
Echinococcus multilocularis	neuropeptide receptor A26	0.0488	0.0693	0.0693
Schistosoma mansoni	survival motor neuron protein	0.0049	0.002	0.0189
Echinococcus granulosus	survival motor neuron protein 1	0.0238	0.031	0.031
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0061	0.0585
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0057	0.0057
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0061	0.1762
Echinococcus granulosus	neuropeptide s receptor	0.0488	0.0693	0.0693
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0021	0.0021
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0021	0.0203
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.005	0.0021	0.054
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0021	0.0021
Schistosoma mansoni	hypothetical protein	0.0073	0.0057	0.0543
Brugia malayi	MH2 domain containing protein	0.0251	0.033	0.8401
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0021	0.3463
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0209	0.602
Loa Loa (eye worm)	beta-lactamase	0.0076	0.0061	0.156
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0061	0.156
Loa Loa (eye worm)	hypothetical protein	0.005	0.0021	0.054
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0021	0.5
Onchocerca volvulus		0.0292	0.0392	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0088	0.0088
Loa Loa (eye worm)	MH2 domain-containing protein	0.0251	0.033	0.8401
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0021	0.0203
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0061	0.1762
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0061	0.156
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0021	0.0021
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0021	0.054
Brugia malayi	beta-lactamase family protein	0.0076	0.0061	0.156
Toxoplasma gondii	ABC1 family protein	0.0076	0.0061	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.0392	0.3751
Echinococcus multilocularis	microtubule associated protein 2	0.0719	0.1046	0.1046
Brugia malayi	beta-lactamase	0.0076	0.0061	0.156
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0021	0.0021
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0209	0.602
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0061	0.156
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0263	0.0347	0.8854
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0021	0.0021
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0057	0.0057
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0021	0.0203
Schistosoma mansoni	hypothetical protein	0.0183	0.0225	0.2155
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0209	0.602
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0088	0.0088
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0209	0.602
Loa Loa (eye worm)	hypothetical protein	0.005	0.0021	0.054
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.0088	0.2248
Echinococcus granulosus	tumor protein p63	0.0346	0.0474	0.0474
Onchocerca volvulus		0.005	0.0021	0.004
Entamoeba histolytica	hypothetical protein	0.0073	0.0057	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.0223	0.6429
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0057	0.0543
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.0392	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0061	0.1762
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0021	0.0203
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.0347	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0088	0.0088
Plasmodium falciparum	transporter, putative	0.005	0.0021	0.5
Toxoplasma gondii	hypothetical protein	0.005	0.0021	0.3463
Trypanosoma brucei	hypothetical protein, conserved	0.0076	0.0061	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0021	0.0203
Onchocerca volvulus		0.0076	0.0061	0.1113

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.13 mg kg-1	Antagonism of tetrabenazine(TBZ)-induced depression in mice measured for ptosis	ChEMBL.	3039136
ED50 (functional)	= 2 mg kg-1	Antagonism of tetrabenazine(TBZ)-induced depression measured in mice by motor activity	ChEMBL.	3039136
Inhibition (binding)	= -1 %	Binding affinity towards dopamine receptor D2 at 1.0 uM concentration	ChEMBL.	3039136
Inhibition (binding)	= -1 %	Binding affinity towards Muscarinic acetylcholine receptor at 1.0 uM concentration	ChEMBL.	3039136
Inhibition (binding)	= 15 %	Binding affinity towards alpha-2 adrenergic receptor at 1.0 uM concentration	ChEMBL.	3039136
Inhibition (binding)	= 58 %	Binding affinity towards alpha-1 adrenergic receptor at 1.0 uM concentration	ChEMBL.	3039136
Ki (binding)	= 3.4 nM	Inhibition of uptake of tritiated norepinephrine(NE) in rat synaptosomes	ChEMBL.	3039136
Ki (binding)	= 18.1 nM	Inhibition the uptake of tritiated serotonin(5-HT)by the serotonin transporter SERT in rat synaptosomes	ChEMBL.	3039136
Ki (binding)	= 71.9 nM	Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes	ChEMBL.	3039136

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: CHEMBL1743820

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1522158