TDR Targets

Basic information

Technical information

TDR Targets ID: 354163
Name: 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpenta n-1-one
MW: 300.223 | Formula: C15H19Cl2NO
H donors: 0 H acceptors: 1 LogP: 4.28 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC(N1CCCC1)CC(=O)c1ccc(c(c1)Cl)Cl
InChi: 1S/C15H19Cl2NO/c1-2-12(18-7-3-4-8-18)10-15(19)11-5-6-13(16)14(17)9-11/h5-6,9,12H,2-4,7-8,10H2,1H3
InChiKey: BQKRARPXRCZXGV-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

1-(3,4-dichlorophenyl)-3-pyrrolidin-1-yl-pentan-1-one
1-(3,4-dichlorophenyl)-3-(1-pyrrolidinyl)-1-pentanone
1-(3,4-dichlorophenyl)-3-pyrrolidino-pentan-1-one
1-(3,4-dichlorophenyl)-3-1-pyrrolidinylpentan-1-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dopamine receptor D3	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D1	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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 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
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	5-hydroxytryptamine receptor, putative	Get druggable targets OG5_132667	All targets in OG5_132667
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical 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
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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Brugia malayi	Serotonin receptor	Get druggable targets OG5_135430	All targets in OG5_135430
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Serotonin/octopamine receptor family protein 7	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma japonicum	5-hydroxytryptamine receptor 1, putative	Get druggable targets OG5_132667	All targets in OG5_132667
Schistosoma japonicum	ko:K04165 Oamb gene product from transcript, putative	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma mansoni	norepinephrine/norepinephrine transporter	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
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
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_133249	All targets in OG5_133249
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)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
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_141128	All targets in OG5_141128
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	solute carrier family 6 member 4	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 3	620 aa	579 aa	33.2 %
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %
Brugia malayi	AT19640p	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	390 aa	335 aa	21.8 %
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 4	630 aa	574 aa	31.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	chromobox protein homolog 3	0.0039	0.0024	0.0023
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.0609	0.0608
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0048	0.0048
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.4354	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0374	0.0799	0.0799
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.17	0.3864	0.9974
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0027	0.007
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0003	0.0002
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.021	0.0168
Plasmodium falciparum	glutathione reductase	0.0047	0.0043	0.0042
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.1704	0.3874	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0048	0.0048
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0031	0.0018
Loa Loa (eye worm)	hypothetical protein	0.005	0.0048	0.0595
Plasmodium vivax	SET domain protein, putative	0.003	0.0003	0.0002
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0048	0.0048
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0048	0.0595
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.4354	1	1
Mycobacterium tuberculosis	Probable reductase	0.0107	0.0182	0.014
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0048	0.0123
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0031	0.0487
Brugia malayi	Zinc finger, C2H2 type family protein	0.17	0.3864	0.3864
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0048	0.0048
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0043	0.0042
Echinococcus multilocularis	serotonin receptor	0.0164	0.0314	0.0807
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0048	0.0125
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.4354	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0048	0.0595
Loa Loa (eye worm)	hypothetical protein	0.005	0.0048	0.0595
Toxoplasma gondii	hypothetical protein	0.005	0.0048	0.0048
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.4354	1	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0048	0.0048
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0031	0.0018
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0119	0.021	0.0028
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0048	0.0048
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.1704	0.3874	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0049	0.06
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0609	0.7615
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.1704	0.3874	1
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.4354	1	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0048	0.0125
Onchocerca volvulus		0.005	0.0048	0.0781
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.0182	0.014
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0003	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0314	0.3917
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0048	0.0123
Plasmodium falciparum	dihydroorotate dehydrogenase	0.4354	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0048	0.0048
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.0479	0.1182
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0048	0.0125
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.4354	1	0.5
Giardia lamblia	PHD finger protein 15	0.0029	0.0001	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0048	0.0048
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0048	0.0595
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0015	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0374	0.0799	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0015	0.0177
Brugia malayi	Pre-SET motif family protein	0.003	0.0003	0.0002
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0094	0.0241
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0043	0.0042
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.0182	0.014
Echinococcus granulosus	serotonin transporter	0.0292	0.0609	0.1572
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0048	0.0048
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.0094	0.1168
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0072	0.0895
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0048	0.0048
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0043	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0024	0.0285
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0003	0.0002
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.1704	0.3874	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0119	0.021	0.0168
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0094	0.0183
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.4354	1	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.1704	0.3874	1
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0094	0.0183
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0108	0.0108
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.005	0.0048	0.0595
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.0609	0.0608
Onchocerca volvulus		0.003	0.0004	0.0055
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0048	0.0125
Onchocerca volvulus		0.0236	0.0479	0.7863
Brugia malayi	jmjC domain containing protein	0.0095	0.0154	0.0153
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0041	0.0029	0.0028
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0003	0.0004
Echinococcus multilocularis	serotonin transporter	0.0292	0.0609	0.157
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.1704	0.3874	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0048	0.0125
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.1704	0.3874	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0048	0.0048
Schistosoma mansoni	chromobox protein	0.0069	0.0094	0.0093
Echinococcus granulosus	biogenic amine 5HT receptor	0.0164	0.0314	0.081
Echinococcus granulosus	peregrin	0.0029	0.0001	0.0002
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0043	0.011
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0048	0.0123
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.17	0.3864	0.3838
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0048	0.0048
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.0182	0.014
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.17	0.3864	0.9974
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0003	0.0004
Echinococcus granulosus	chromobox protein 1	0.0069	0.0094	0.0243
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0374	0.0799	1
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.4354	1	1
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.0609	0.7615
Loa Loa (eye worm)	hypothetical protein	0.005	0.0048	0.0595
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0048	0.0048
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0164	0.0314	0.0313
Onchocerca volvulus		0.005	0.0048	0.0781
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0015	0.0014
Schistosoma mansoni	dihydroorotate dehydrogenase	0.4354	1	1
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0043	0.0523
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.0609	0.5
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0609	0.7615
Loa Loa (eye worm)	hypothetical protein	0.003	0.0003	0.002
Loa Loa (eye worm)	hypothetical protein	0.005	0.0048	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0609	0.7615
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.005	0.0048	0.0595
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0043	0.0042
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0048	0.0048
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0043	0.0108
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.17	0.3864	0.9974
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0048	0.0048
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.0182	0.014
Onchocerca volvulus		0.005	0.0048	0.0781
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0314	0.3917
Brugia malayi	Thioredoxin reductase	0.0047	0.0043	0.0042
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.0413	0.5159
Toxoplasma gondii	hypothetical protein	0.005	0.0048	0.0048
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.0609	0.0608
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0048	0.5
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0048	0.0123
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0015	0.0014
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.0154	0.0394
Plasmodium falciparum	transporter, putative	0.005	0.0048	0.0048
Brugia malayi	Serotonin receptor	0.0573	0.1258	0.1257
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0048	0.0048
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0048	0.0123
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.4354	1	1
Onchocerca volvulus		0.0041	0.0029	0.0458
Echinococcus multilocularis	serotonin receptor	0.0164	0.0314	0.0807
Plasmodium vivax	amine transporter, putative	0.005	0.0048	0.0048
Brugia malayi	glutathione reductase	0.0047	0.0043	0.0042
Echinococcus granulosus	chromobox protein 1	0.0069	0.0094	0.0243
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.0609	0.7615
Brugia malayi	hypothetical protein	0.005	0.0048	0.0048
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.17	0.3864	0.9974
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0374	0.0799	0.0799
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0001	0.0002
Schistosoma mansoni	chromobox protein	0.0069	0.0094	0.0093
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0003	0.0007
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0094	0.0241
Brugia malayi	Heterochromatin protein 1	0.0069	0.0094	0.0093
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.4354	1	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0015	0.0036
Brugia malayi	jmjC domain containing protein	0.0035	0.0015	0.0014
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.4354	1	0.5
Brugia malayi	Pre-SET motif family protein	0.0207	0.0413	0.0412
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.0609	0.7615
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0003	0.0002
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.0154	0.0396
Leishmania major	dihydroorotate dehydrogenase	0.4354	1	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0024	0.0375
Onchocerca volvulus		0.0292	0.0609	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0004	0.0042
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0048	0.0125
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0043	0.0523
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.0182	0.014
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0119	0.021	0.0168
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0027	0.0068

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1780 nM	Inhibition of [3H] serotonin uptake into human SERT expressed in HEK293 cells	ChEMBL.	16480278
IC50 (functional)	= 1780 nM	Inhibition of [3H] serotonin uptake into human SERT expressed in HEK293 cells	ChEMBL.	16480278
IC50 (functional)	> 10 uM	Inhibition of [3H] dopamine uptake into human DAT expressed in HEK293 cells	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against 5HT1A	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against 5HT1B	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against 5HT1C	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against dopamine D1	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against dopamine D2	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against dopamine D3	ChEMBL.	16480278
IC50 (functional)	> 10 uM	Inhibition of [3H] dopamine uptake into human DAT expressed in HEK293 cells	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against 5HT1A	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against 5HT1B	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against 5HT1C	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against dopamine D1	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against dopamine D2	ChEMBL.	16480278
IC50 (binding)	> 10 uM	Inhibitory activity against dopamine D3	ChEMBL.	16480278
Ki (binding)	= 3900 nM	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	= 3900 nM	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	= 8440 nM	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	= 8440 nM	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	> 10 uM	Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells	ChEMBL.	16480278
Ki (binding)	> 10 uM	Displacement of [125I]RTI-55 from human NET 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.

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External resources for this compound

ChEMBL: CHEMBL377498
PubChem: 11551780

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 354163