TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 251.752 | Formula: C14H18ClNO
H donors: 1 H acceptors: 1 LogP: 3.34 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC(NC1CCc2c(C1=O)cc(cc2)Cl)(C)C
InChi: 1S/C14H18ClNO/c1-14(2,3)16-12-7-5-9-4-6-10(15)8-11(9)13(12)17/h4,6,8,12,16H,5,7H2,1-3H3
InChiKey: UAAZALAKZAQQRJ-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

No synonyms found for this compound

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 3	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	norepinephrine/norepinephrine transporter	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
Schistosoma mansoni	sodium/chloride dependent 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
Loa Loa (eye worm)	solute carrier family 6 member 4	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
Onchocerca volvulus		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
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
Echinococcus granulosus	serotonin 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
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
Treponema pallidum	sodium- and chloride- dependent 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
Loa Loa (eye worm)	serotonin transporter b	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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	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

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 2	617 aa	638 aa	32.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0539	0.0873
Echinococcus granulosus	beta LACTamase domain containing family member	0.0105	0.1384	0.2968
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0049	0.0527	0.0845
Plasmodium vivax	hypothetical protein, conserved	0.0105	0.1384	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0539	0.1275
Loa Loa (eye worm)	hypothetical protein	0.005	0.0539	0.1275
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0458	0.0674
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0331	0.0359
Schistosoma mansoni	ets-related	0.0214	0.3033	0.7052
Mycobacterium ulcerans	carboxylesterase, LipT	0.0049	0.0527	0.1866
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0539	0.0873
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0539	0.1972
Leishmania major	hypothetical protein, conserved	0.0105	0.1384	1
Brugia malayi	beta-lactamase	0.0105	0.1384	0.3278
Mycobacterium leprae	Probable lipase LipE	0.0105	0.1384	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0539	0.0873
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0186	0.0441
Loa Loa (eye worm)	carboxylesterase	0.0049	0.0527	0.1249
Plasmodium falciparum	transporter, putative	0.005	0.0539	0.5
Onchocerca volvulus		0.0049	0.0527	0.0845
Toxoplasma gondii	hypothetical protein	0.005	0.0539	0.1972
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0539	0.0873
Brugia malayi	hypothetical protein	0.0147	0.2017	0.4777
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0539	0.1275
Loa Loa (eye worm)	carboxylesterase	0.0049	0.0527	0.1249
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1384	0.3278
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0458	0.1085
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0186	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0289	0.4178	0.9893
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0539	0.1275
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0539	0.1972
Echinococcus multilocularis	serotonin transporter	0.0292	0.4223	1
Brugia malayi	Carboxylesterase family protein	0.0289	0.4178	0.9893
Trichomonas vaginalis	penicillin-binding protein, putative	0.0105	0.1384	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0105	0.1384	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0539	0.0873
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0331	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0539	0.0873
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0539	0.0873
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0049	0.0527	0.0845
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0539	0.1275
Loa Loa (eye worm)	hypothetical protein	0.0289	0.4178	0.9893
Brugia malayi	Carboxylesterase family protein	0.0049	0.0527	0.1249
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0331	0.0359
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.4223	1
Mycobacterium leprae	conserved hypothetical protein	0.0105	0.1384	1
Brugia malayi	Ets-domain containing protein	0.007	0.0855	0.2025
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0049	0.0527	0.0845
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0186	0.0441
Mycobacterium ulcerans	lipase LipD	0.0105	0.1384	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0105	0.1384	1
Echinococcus granulosus	acetylcholinesterase	0.0289	0.4178	0.9888
Echinococcus granulosus	BC026374 protein S09 family	0.0049	0.0527	0.0845
Echinococcus multilocularis	acetylcholinesterase	0.0289	0.4178	0.9888
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0179	0.0423
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0049	0.0527	0.0845
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0539	0.0873
Brugia malayi	intermediate filament protein	0.0026	0.0186	0.0441
Brugia malayi	beta-lactamase family protein	0.0105	0.1384	0.3278
Brugia malayi	Fli-1 protein	0.0214	0.3033	0.7182
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.4223	1
Brugia malayi	hypothetical protein	0.0049	0.0527	0.1249
Echinococcus granulosus	neuroligin	0.0049	0.0527	0.0845
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0331	0.0359
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0331	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0147	0.2017	0.4777
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0539	0.0873
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0539	0.1275
Onchocerca volvulus		0.005	0.0539	0.0873
Brugia malayi	Carboxylesterase family protein	0.0049	0.0527	0.1249
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0539	0.0873
Onchocerca volvulus		0.0105	0.1384	0.2968
Echinococcus granulosus	GA binding protein alpha chain	0.007	0.0855	0.1657
Onchocerca volvulus		0.0105	0.1384	0.2968
Brugia malayi	Ets-domain containing protein	0.007	0.0855	0.2025
Loa Loa (eye worm)	fli-1 protein	0.0214	0.3033	0.7182
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0539	0.0873
Onchocerca volvulus		0.0049	0.0527	0.0845
Toxoplasma gondii	hypothetical protein	0.005	0.0539	0.1972
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0539	0.0873
Loa Loa (eye worm)	acetylcholinesterase 1	0.0289	0.4178	0.9893
Echinococcus granulosus	serotonin transporter	0.0292	0.4223	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0105	0.1384	1
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0539	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0186	0.0441
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0049	0.0527	0.0845
Mycobacterium ulcerans	esterase/lipase LipP	0.0105	0.1384	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1384	0.3278
Loa Loa (eye worm)	hypothetical protein	0.0292	0.4223	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0539	0.0873
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0105	0.1384	0.1142
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0539	0.0873
Onchocerca volvulus		0.005	0.0539	0.0873
Mycobacterium tuberculosis	Probable hydrolase	0.0105	0.1384	0.1142
Schistosoma mansoni	acetylcholinesterase	0.0049	0.0527	0.0845
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0458	0.0674
Mycobacterium tuberculosis	Probable lipase LipD	0.0105	0.1384	0.1142
Trichomonas vaginalis	spcc417.12 protein, putative	0.0049	0.0527	0.1866
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0105	0.1384	0.2968
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0539	0.0873
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0049	0.0527	0.1866
Onchocerca volvulus		0.0292	0.4223	1
Loa Loa (eye worm)	inositol-1	0.0036	0.0331	0.0783
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1384	0.3278
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0458	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0527	0.1249
Echinococcus granulosus	acetylcholinesterase	0.0289	0.4178	0.9888
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0527	0.1249
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0458	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0292	0.4223	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0105	0.1384	0.2968
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.4223	1
Onchocerca volvulus		0.005	0.0539	0.0873
Loa Loa (eye worm)	hypothetical protein	0.005	0.0539	0.1275
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0105	0.1384	0.3278
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.007	0.0855	0.2025
Mycobacterium tuberculosis	Conserved protein	0.0105	0.1384	0.1142
Trichomonas vaginalis	D-aminoacylase, putative	0.0105	0.1384	1
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0539	0.0873
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0105	0.1384	0.3278
Mycobacterium tuberculosis	Conserved protein	0.0105	0.1384	0.1142
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0458	0.1085
Onchocerca volvulus		0.0049	0.0527	0.0845
Brugia malayi	Inositol-1	0.0036	0.0331	0.0783
Loa Loa (eye worm)	hypothetical protein	0.005	0.0539	0.1275
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.4223	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0539	0.0873
Onchocerca volvulus		0.0049	0.0527	0.0845
Echinococcus multilocularis	neuroligin	0.0049	0.0527	0.0845
Onchocerca volvulus		0.0147	0.2017	0.4536
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0105	0.1384	0.2968
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0527	0.1249
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0539	0.0873
Trypanosoma cruzi	hypothetical protein, conserved	0.0105	0.1384	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.07	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0527	0.1249
Brugia malayi	hypothetical protein	0.005	0.0539	0.1275
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0458	0.0674
Loa Loa (eye worm)	hypothetical protein	0.005	0.0539	0.1275
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0049	0.0527	0.0261
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0049	0.0527	0.0845
Mycobacterium ulcerans	hypothetical protein	0.0105	0.1384	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0539	0.1275
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0049	0.0527	0.0261
Echinococcus multilocularis	GA binding protein alpha chain	0.007	0.0855	0.1657
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0539	0.1275
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0105	0.1384	0.1142
Mycobacterium tuberculosis	Conserved protein	0.0105	0.1384	0.1142
Echinococcus granulosus	para nitrobenzyl esterase	0.0049	0.0527	0.0845
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0539	0.0873
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0049	0.0527	0.0261
Loa Loa (eye worm)	beta-lactamase	0.0105	0.1384	0.3278
Mycobacterium tuberculosis	Probable lipase LipE	0.0105	0.1384	0.1142
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0539	0.0873
Trichomonas vaginalis	D-aminoacylase, putative	0.0105	0.1384	1
Loa Loa (eye worm)	hypothetical protein	0.0292	0.4223	1
Onchocerca volvulus		0.0105	0.1384	0.2968
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1384	0.3278
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0539	0.5
Brugia malayi	Carboxylesterase family protein	0.0049	0.0527	0.1249
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0527	0.1249
Mycobacterium tuberculosis	Probable esterase LipL	0.0105	0.1384	0.1142
Echinococcus multilocularis	acetylcholinesterase	0.0289	0.4178	0.9888
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.4223	0.5
Loa Loa (eye worm)	carboxylesterase	0.0289	0.4178	0.9893
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0527	0.1249
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0539	0.1275
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1384	0.3278
Trichomonas vaginalis	D-aminoacylase, putative	0.0105	0.1384	1
Onchocerca volvulus		0.0049	0.0527	0.0845
Trypanosoma brucei	hypothetical protein, conserved	0.0105	0.1384	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0331	0.5
Brugia malayi	Carboxylesterase family protein	0.0049	0.0527	0.1249
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0458	0.0674
Loa Loa (eye worm)	hypothetical protein	0.005	0.0539	0.1275
Brugia malayi	Carboxylesterase family protein	0.0289	0.4178	0.9893
Echinococcus multilocularis	para nitrobenzyl esterase	0.0049	0.0527	0.0845
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0049	0.0527	0.0845
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0105	0.1384	0.1142
Trichomonas vaginalis	esterase, putative	0.0105	0.1384	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0539	0.0873
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0527	0.1249
Echinococcus granulosus	carboxylesterase 5A	0.0289	0.4178	0.9888
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0289	0.4178	0.9888
Mycobacterium ulcerans	beta-lactamase	0.0105	0.1384	1
Brugia malayi	beta-lactamase family protein	0.0105	0.1384	0.3278
Toxoplasma gondii	ABC1 family protein	0.0105	0.1384	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0458	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1384	0.3278
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.4223	1
Echinococcus multilocularis	carboxylesterase 5A	0.0289	0.4178	0.9888
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0539	0.1972
Schistosoma mansoni	gabp alpha	0.007	0.0855	0.1657
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0539	0.0873
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.4223	1
Schistosoma mansoni	gliotactin	0.0049	0.0527	0.0845
Schistosoma mansoni	BC026374 protein (S09 family)	0.0049	0.0527	0.0845

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 2.6 mg kg-1	Antidepressant activity in ip dosed mouse assessed as stimulation of locomotor activity	ChEMBL.	19821577
IC50 (binding)		Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells	ChEMBL.	19821577
IC50 (binding)		Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells	ChEMBL.	19821577
IC50 (binding)		Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells	ChEMBL.	19821577
Ki (binding)	> 10 uM	Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells	ChEMBL.	19821577
Ki (binding)	> 10 uM	Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells	ChEMBL.	19821577
Ki (binding)	> 10 uM	Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells	ChEMBL.	19821577

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: CHEMBL566193

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1056838