TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 470.558 | Formula: C26H34N2O6
H donors: 3 H acceptors: 5 LogP: -2.14 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: C[C@H](CN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1)O.OC(=O)/C=C/C(=O)O
InChi: 1S/C22H30N2O2.C4H4O4/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21;5-3(6)1-2-4(7)8/h2-11,19,22,25H,12-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-;/m1./s1
InChiKey: CBJIXHCUKSYHAE-ZDADEQPYSA-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
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine transporter	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Echinococcus multilocularis	serotonin transporter	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
Brugia malayi	Sodium:neurotransmitter symporter family protein	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	norepinephrine/norepinephrine transporter	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	Dopamine transporter	619 aa	604 aa	37.9 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	30.9 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	31.8 %
Echinococcus granulosus	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Neospora caninum	sodium-dependent transporter, putative	Dopamine transporter	619 aa	498 aa	32.3 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	552 aa	41.5 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	582 aa	35.2 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Serotonin transporter	630 aa	581 aa	40.1 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Serotonin transporter	630 aa	520 aa	36.2 %
Onchocerca volvulus		Serotonin transporter	630 aa	611 aa	26.4 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	509 aa	28.3 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Serotonin transporter	630 aa	571 aa	31.2 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Serotonin transporter	630 aa	638 aa	25.1 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Serotonin transporter	630 aa	629 aa	47.1 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	605 aa	37.7 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Serotonin transporter	630 aa	585 aa	34.2 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	uridine phosphorylase 1	0.0109	0.1241	0.1217
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0182	0.2379	0.3053
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0056	0.041	0.014
Chlamydia trachomatis	dihydrofolate reductase	0.0049	0.0305	0.2295
Schistosoma mansoni	microtubule-associated protein tau	0.0674	1	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0169	0.2168	1
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0527	0.7731	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Loa Loa (eye worm)	norepinephrine transporter	0.0182	0.2379	0.3914
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.1241	0.1108
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0109	0.1241	0.1217
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0049	0.0305	0.0395
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0109	0.1241	0.5724
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0527	0.7731	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.0437	0.0411
Treponema pallidum	sodium- and chloride- dependent transporter	0.0182	0.2379	0.5986
Loa Loa (eye worm)	MH2 domain-containing protein	0.0134	0.1624	0.2658
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.0437	0.0411
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0057	0.0437	0.0411
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.1241	0.466
Schistosoma mansoni	sodium/chloride dependent transporter	0.0182	0.2379	0.2358
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0407	0.0493
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0182	0.2379	0.3914
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0418	0.6036	0.6025
Echinococcus granulosus	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Echinococcus multilocularis	dihydrofolate reductase	0.0049	0.0305	0.0279
Loa Loa (eye worm)	thymidylate synthase	0.012	0.1408	0.2299
Echinococcus granulosus	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.3974	0.4852
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0169	0.2168	1
Echinococcus multilocularis	thymidylate synthase	0.012	0.1408	0.1385
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0527	0.7731	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0057	0.0437	0.0411
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0407	0.0632
Echinococcus granulosus	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.0864	0.3984
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0109	0.1241	0.126
Toxoplasma gondii	phosphorylase family protein	0.0109	0.1241	0.5724
Echinococcus granulosus	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Echinococcus granulosus	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0182	0.2379	0.2358
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.1241	0.1108
Treponema pallidum	uridine phosphorylase (udp)	0.0109	0.1241	0.3123
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2379	0.3914
Loa Loa (eye worm)	transcription factor SMAD2	0.0134	0.1624	0.2658
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0109	0.1241	0.1217
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.1241	0.1108
Mycobacterium ulcerans	thymidylate synthase	0.012	0.1408	0.1485
Echinococcus granulosus	serotonin transporter	0.0182	0.2379	0.2358
Brugia malayi	MH2 domain containing protein	0.0134	0.1624	0.2073
Brugia malayi	jmjC domain containing protein	0.0057	0.0437	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2379	0.3914
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.1241	0.1108
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0864	0.0752
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0407	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0407	0.0632
Giardia lamblia	Deoxynucleoside kinase	0.0414	0.5974	0.7293
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0139	0.1709	0.189
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.1241	0.1108
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0027	0.0124
Brugia malayi	Dihydrofolate reductase	0.0049	0.0305	0.0362
Echinococcus granulosus	uridine phosphorylase 1	0.0109	0.1241	0.1217
Mycobacterium tuberculosis	Hypothetical protein	0.0057	0.0432	0.017
Loa Loa (eye worm)	jmjC domain-containing protein	0.0057	0.0437	0.0682
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.1241	0.1108
Brugia malayi	uridine phosphorylase family protein	0.0109	0.1241	0.1576
Plasmodium vivax	amine transporter, putative	0.0031	0.0027	0.0124
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0864	0.0752
Schistosoma mansoni	uridine phosphorylase	0.0109	0.1241	0.1217
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2379	0.3914
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0169	0.2168	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0027	0.0124
Echinococcus granulosus	peptidase Clp S14 family	0.0056	0.041	0.0384
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.1241	0.1108
Brugia malayi	MTAP	0.0109	0.1241	0.1576
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.1241	0.1108
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0285	0.3974	1
Brugia malayi	hypothetical protein	0.0057	0.0432	0.0526
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.3974	0.4852
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0864	0.5
Treponema pallidum	pfs protein (pfs)	0.0109	0.1241	0.3123
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.012	0.1408	0.1385
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0527	0.7731	1
Mycobacterium tuberculosis	Hypothetical protein	0.0109	0.1241	0.126
Brugia malayi	jmjC domain containing protein	0.0057	0.0437	0.0532
Echinococcus multilocularis	serotonin transporter	0.0182	0.2379	0.2358
Onchocerca volvulus		0.0182	0.2379	0.3053
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0056	0.041	0.014
Schistosoma mansoni	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0109	0.1241	0.5724
Schistosoma mansoni	dihydrofolate reductase	0.0049	0.0305	0.0279
Brugia malayi	thymidylate synthase	0.012	0.1408	0.1793
Loa Loa (eye worm)	hypothetical protein	0.0418	0.6036	1
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0527	0.7731	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Schistosoma mansoni	lipoxygenase	0.0054	0.0382	0.0356
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.3974	0.4852
Echinococcus granulosus	dihydrofolate reductase	0.0049	0.0305	0.0279
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0056	0.041	0.053
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0135	0.0179
Schistosoma mansoni	uridine phosphorylase	0.0109	0.1241	0.1217
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0109	0.1241	0.126
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0109	0.1241	0.126
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0418	0.6036	0.6025
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0085	0.0864	0.3984
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0057	0.0437	0.0411
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0864	0.3984
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0085	0.0864	0.0839
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.0864	0.3984
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0169	0.2168	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0139	0.1709	0.2211
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0109	0.1241	0.202
Loa Loa (eye worm)	uridine phosphorylase	0.0109	0.1241	0.202
Chlamydia trachomatis	AMP nucleosidase	0.0109	0.1241	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0285	0.3974	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.3974	0.4852
Schistosoma mansoni	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Loa Loa (eye worm)	dihydrofolate reductase	0.0049	0.0305	0.0464
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.3974	0.4852
Brugia malayi	Probable ClpP-like protease	0.0085	0.0864	0.1086
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0109	0.1241	0.466
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.012	0.1408	0.1822
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.0382	0.0356
Toxoplasma gondii	hypothetical protein	0.0031	0.0027	0.0124
Schistosoma mansoni	hypothetical protein	0.0038	0.0135	0.0108
Onchocerca volvulus		0.012	0.1408	0.1793
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0864	0.2173
Plasmodium falciparum	amino acid transporter, putative	0.0031	0.0027	0.0124
Echinococcus granulosus	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0109	0.1241	0.126
Mycobacterium leprae	probable uridine phosphorylase	0.0109	0.1241	0.1605
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0169	0.2168	1
Brugia malayi	dihydrofolate reductase family protein	0.0049	0.0305	0.0362
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0027	0.0124
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0527	0.7731	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0135	0.014
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0027	0.0124
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.3974	0.4852
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.3974	0.4852
Toxoplasma gondii	hypothetical protein	0.0031	0.0027	0.0124
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0109	0.1241	0.466
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.1241	0.466
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0418	0.6036	0.6025
Echinococcus granulosus	thymidylate synthase	0.012	0.1408	0.1385
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.1241	0.1108
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0139	0.1709	0.189
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0169	0.2168	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.012	0.1408	0.1485
Schistosoma mansoni	jumonji domain containing protein	0.0057	0.0437	0.0411
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0864	0.6892
Schistosoma mansoni	peptidase Clp (S14 family)	0.0085	0.0864	0.0839
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0109	0.1241	0.3123
Plasmodium falciparum	transporter, putative	0.0031	0.0027	0.0124
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0056	0.041	0.0384
Plasmodium falciparum	purine nucleoside phosphorylase	0.0109	0.1241	0.5724
Echinococcus granulosus	purine nucleoside phosphorylase	0.0527	0.7731	0.7725
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0864	0.1392
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0109	0.1241	0.1217
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0085	0.0864	0.0839
Treponema pallidum	fructose-bisphosphate aldolase	0.0285	0.3974	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.0382	0.0356
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.3974	0.4852
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0527	0.7731	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0285	0.3974	0.4211
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0085	0.0864	0.1117
Echinococcus multilocularis	microtubule associated protein 2	0.0674	1	1
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0109	0.1241	0.1217
Echinococcus granulosus	lysine specific demethylase 5A	0.0057	0.0437	0.0411
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.1241	0.466
Toxoplasma gondii	phosphorylase family protein	0.0109	0.1241	0.5724
Loa Loa (eye worm)	serotonin transporter b	0.0182	0.2379	0.3914
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0864	0.6892
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0109	0.1241	0.1217

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 44 nM	Binding affinity for dopamine transporter (DAT)	ChEMBL.	12565970
Ki (binding)	= 44 nM	Binding affinity for dopamine transporter (DAT)	ChEMBL.	12565970
Ki (binding)	= 12900 nM	Binding affinity for serotonin transporter (SERT)	ChEMBL.	12565970
Ki (binding)	= 12900 nM	Binding affinity for serotonin transporter (SERT)	ChEMBL.	12565970
Ratio (binding)	= 293	Selectivity expressed as ratio of affinity for SERT/DAT	ChEMBL.	12565970

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: CHEMBL424521

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 262368