TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 380.437 | Formula: C22H24N2O4
H donors: 0 H acceptors: 3 LogP: 4.08 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1C2CCC(N2C)CC1c1ccc(cc1)c1ccccc1[N+](=O)[O-]
InChi: 1S/C22H24N2O4/c1-23-16-11-12-20(23)21(22(25)28-2)18(13-16)15-9-7-14(8-10-15)17-5-3-4-6-19(17)24(26)27/h3-10,16,18,20-21H,11-13H2,1-2H3
InChiKey: VAOSRYXOQDMAAS-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
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Norepinephrine 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
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 japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine transporter	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
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
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
Schistosoma japonicum	Sodium-dependent dopamine transporter, 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
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
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	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	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 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Norepinephrine transporter	597 aa	501 aa	39.7 %
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	Norepinephrine transporter	597 aa	579 aa	22.1 %
Loa Loa (eye worm)	hypothetical protein	Norepinephrine transporter	597 aa	551 aa	25.0 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	508 aa	32.7 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	570 aa	38.6 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Norepinephrine transporter	597 aa	569 aa	24.8 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	595 aa	34.0 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.0 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	534 aa	41.0 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Norepinephrine transporter	597 aa	577 aa	34.0 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	540 aa	46.3 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Plasmodium vivax	amine transporter, putative	Norepinephrine transporter	597 aa	483 aa	21.1 %
Plasmodium yoelii	hypothetical protein	Norepinephrine transporter	597 aa	478 aa	19.7 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	579 aa	35.1 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.5 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Norepinephrine transporter	597 aa	513 aa	38.4 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	581 aa	34.6 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	548 aa	24.8 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Neospora caninum	sodium-dependent transporter, putative	Norepinephrine transporter	597 aa	507 aa	30.4 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	522 aa	22.0 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Norepinephrine transporter	597 aa	545 aa	41.7 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	554 aa	38.6 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	529 aa	41.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0132	0.3589	0.3589
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.9478	1
Mycobacterium ulcerans	DNA polymerase IV	0.009	0.2336	0.5003
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0021	0.0289	0.0289
Echinococcus granulosus	geminin	0.0192	0.5352	0.5352
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0373	0.0172
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.1133	0.1133
Brugia malayi	hypothetical protein	0.005	0.1133	0.1359
Trypanosoma brucei	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Echinococcus multilocularis	dna polymerase eta	0.0089	0.2299	0.2299
Loa Loa (eye worm)	carbonic anhydrase 3	0.0288	0.8203	0.8203
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.9478	1
Trypanosoma cruzi	metacaspase, putative	0.005	0.1146	0.1167
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0629	0.052
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.1133	0.5
Loa Loa (eye worm)	flap endonuclease-1	0.0029	0.0535	0.0535
Trypanosoma cruzi	metacaspase 5, putative	0.005	0.1146	0.1167
Loa Loa (eye worm)	hypothetical protein	0.005	0.1146	0.1146
Loa Loa (eye worm)	hypothetical protein	0.0292	0.8332	0.8332
Trypanosoma brucei	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.1133	0.1359
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.1133	0.1133
Entamoeba histolytica	hypothetical protein	0.0041	0.0869	0.0544
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.1146	0.0849
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.8332	0.8332
Entamoeba histolytica	hypothetical protein	0.0041	0.0869	0.0544
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0021	0.0289	0.0289
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.1133	0.1133
Leishmania major	DNA polymerase kappa, putative	0.0067	0.1665	0.1816
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.1146	0.0849
Echinococcus granulosus	carbonic anhydrase II	0.0288	0.8203	0.8203
Loa Loa (eye worm)	hypothetical protein	0.0156	0.4291	0.4291
Schistosoma mansoni	flap endonuclease-1	0.0027	0.0451	0.0451
Echinococcus multilocularis	caspase 8	0.005	0.1146	0.1146
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.1133	0.1133
Trypanosoma brucei	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Schistosoma mansoni	caspase-7 (C14 family)	0.0132	0.3589	0.3589
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.1133	0.1133
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0869	0.0869
Echinococcus multilocularis	carbonic anhydrase II	0.0288	0.8203	0.8203
Loa Loa (eye worm)	hypothetical protein	0.0292	0.8332	0.8332
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.005	0.1146	0.1801
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.1133	0.1133
Onchocerca volvulus		0.005	0.1133	0.1359
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0289	0.0146
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.1133	0.1133
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0067	0.1665	0.1816
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0021	0.0289	0.0289
Trypanosoma cruzi	DNA polymerase eta, putative	0.0047	0.1069	0.1071
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.1146	0.0849
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0373	0.0373
Echinococcus granulosus	caspase 2	0.0097	0.253	0.253
Trypanosoma cruzi	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.1133	0.1133
Plasmodium falciparum	carbonic anhydrase	0.0193	0.5391	1
Brugia malayi	RNA, U transporter 1	0.0093	0.2415	0.2898
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0389	0.0219
Loa Loa (eye worm)	hypothetical protein	0.005	0.1133	0.1133
Onchocerca volvulus		0.0292	0.8332	1
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.1133	0.1133
Schistosoma mansoni	caspase-3 (C14 family)	0.0132	0.3589	0.3589
Plasmodium falciparum	importin beta, putative	0.0033	0.0629	0.0802
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0869	0.0869
Trypanosoma brucei	DNA polymerase IV, putative	0.0083	0.2115	0.2379
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0161	0.4456	1
Brugia malayi	hypothetical protein	0.0025	0.0389	0.0467
Echinococcus granulosus	carbonic anhydrase	0.0193	0.5391	0.5391
Loa Loa (eye worm)	hypothetical protein	0.005	0.1133	0.1133
Brugia malayi	hypothetical protein	0.0041	0.0869	0.1043
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.006	0.1443	0.1443
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0869	0.0869
Giardia lamblia	DINP protein human, muc B family	0.0067	0.1665	0.1566
Plasmodium vivax	flap endonuclease 1, putative	0.0029	0.0535	0.3447
Trypanosoma brucei	DNA polymerase IV, putative	0.009	0.2336	0.2657
Schistosoma mansoni	DNA helicase recq5	0.0021	0.0289	0.0289
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0193	0.5391	0.647
Trypanosoma brucei	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.1133	0.1133
Trichomonas vaginalis	DNA helicase recq, putative	0.0027	0.0474	0.0111
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0446	0.008
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0389	0.0338
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.1133	0.1133
Toxoplasma gondii	hypothetical protein	0.0193	0.5391	1
Loa Loa (eye worm)	RecQ helicase	0.0051	0.1184	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5391	0.5391
Trypanosoma cruzi	metacaspase, putative	0.005	0.1146	0.1167
Loa Loa (eye worm)	hypothetical protein	0.005	0.1133	0.1133
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0021	0.0289	0.0146
Mycobacterium ulcerans	DNA polymerase IV	0.009	0.2336	0.5003
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0289	0.0146
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.1133	0.1133
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0373	0.0448
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0193	0.5391	0.5391
Trypanosoma brucei	unspecified product	0.0041	0.089	0.0846
Trypanosoma brucei	DNA polymerase kappa, putative	0.0049	0.1107	0.1118
Echinococcus multilocularis	dna polymerase kappa	0.009	0.2336	0.2336
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0289	0.0347
Schistosoma mansoni	carbonic anhydrase	0.0193	0.5391	0.5391
Brugia malayi	hypothetical protein	0.0047	0.1044	0.1253
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.1146	0.0849
Brugia malayi	Bloom's syndrome protein homolog	0.0051	0.1184	0.1421
Trichomonas vaginalis	DNA helicase recq1, putative	0.0051	0.1184	0.089
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5391	0.5391
Brugia malayi	ImpB/MucB/SamB family protein	0.006	0.1443	0.1732
Echinococcus granulosus	caspase	0.0132	0.3589	0.3589
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.005	0.1133	0.1133
Brugia malayi	Cell death protein 3 precursor	0.0097	0.253	0.3037
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.0373	0.0308
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0029	0.0535	0.0621
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0288	0.8203	0.9845
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0021	0.0289	0.0289
Giardia lamblia	Fructose-bisphosphate aldolase	0.0331	0.9478	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0629	0.0802
Leishmania major	metacaspase, putative	0.005	0.1146	0.1167
Trypanosoma brucei	metacaspase	0.005	0.1146	0.1167
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0389	0.0389
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.005	0.1146	0.1801
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.8332	0.8332
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.1146	0.0849
Trypanosoma cruzi	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0629	0.0629
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0288	0.8203	0.8203
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0288	0.8203	0.8203
Trypanosoma brucei	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Trypanosoma brucei	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Onchocerca volvulus	Cell death protein 3 homolog	0.0097	0.253	0.3037
Echinococcus multilocularis	carbonic anhydrase	0.0193	0.5391	0.5391
Schistosoma mansoni	carbonic anhydrase-related	0.0193	0.5391	0.5391
Entamoeba histolytica	deoxycytidyl transferase, putative	0.006	0.1443	0.1175
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0389	0.0338
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.9478	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0045	0.0999	0.1516
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.1133	0.1133
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0034	0.0678	0.0897
Echinococcus granulosus	serotonin transporter	0.0292	0.8332	0.8332
Trypanosoma brucei	unspecified product	0.0083	0.2115	0.2379
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0373	0.02
Trypanosoma brucei	DNA polymerase IV, putative	0.009	0.2336	0.2657
Plasmodium falciparum	amino acid transporter, putative	0.005	0.1133	0.1775
Trypanosoma brucei	metacaspase MCA3	0.005	0.1146	0.1167
Echinococcus multilocularis	serotonin transporter	0.0292	0.8332	0.8332
Onchocerca volvulus		0.005	0.1133	0.1359
Trichomonas vaginalis	DNA polymerase eta, putative	0.009	0.2336	0.2156
Schistosoma mansoni	hypothetical protein	0.0193	0.5391	0.5391
Trypanosoma brucei	DNA polymerase eta, putative	0.0089	0.2299	0.261
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0373	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1107	0.1107
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.1133	0.1133
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0193	0.5391	0.647
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0047	0.1069	0.1653
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0389	0.0219
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0047	0.1044	0.1044
Brugia malayi	polk-prov protein	0.0049	0.1107	0.1329
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.1133	0.1133
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5391	0.5391
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.1133	0.1133
Echinococcus granulosus	flap endonuclease 1	0.0029	0.0535	0.0535
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.006	0.1443	0.1443
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.1133	0.1133
Trichomonas vaginalis	flap endonuclease-1, putative	0.0029	0.0535	0.0178
Plasmodium falciparum	transporter, putative	0.005	0.1133	0.1775
Schistosoma mansoni	DNA polymerase IV / kappa	0.0019	0.0214	0.0214
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0348	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.8332	0.8332
Leishmania major	DNA polymerase eta, putative	0.0089	0.2299	0.261
Leishmania major	DNA polymerase eta, putative	0.0047	0.1069	0.1071
Trypanosoma brucei	DNA polymerase kappa, putative	0.0049	0.1107	0.1118
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0029	0.0535	0.0402
Trypanosoma cruzi	metacaspase, putative	0.005	0.1146	0.1167
Echinococcus multilocularis	flap endonuclease 1	0.0029	0.0535	0.0535
Schistosoma mansoni	hypothetical protein	0.0192	0.5352	0.5352
Trypanosoma cruzi	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.1133	0.1133
Schistosoma mansoni	hypothetical protein	0.0047	0.1044	0.1044
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.1146	0.0849
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.8332	0.8332
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0067	0.1665	0.0735
Trypanosoma cruzi	metacaspase 5, putative	0.005	0.1146	0.1167
Trypanosoma brucei	metacaspase 5, putative	0.005	0.1146	0.1167
Entamoeba histolytica	hypothetical protein	0.0041	0.0869	0.0544
Leishmania major	GTP-binding protein, putative	0.0024	0.0373	0.02
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.1146	0.0849
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.1133	0.1133
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0027	0.0474	0.0326
Brugia malayi	Importin beta-1 subunit	0.0033	0.0629	0.0755
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0389	0.0338
Trypanosoma cruzi	DNA polymerase eta, putative	0.0089	0.2299	0.261
Echinococcus granulosus	caspase 8	0.005	0.1146	0.1146
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.005	0.1146	0.1376
Schistosoma mansoni	hypothetical protein	0.0041	0.0869	0.0869
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.1133	0.1133
Echinococcus granulosus	carbonic anhydrase	0.0193	0.5391	0.5391
Giardia lamblia	Sgs1 DNA helicase, putative	0.0021	0.0289	0.0081
Brugia malayi	ImpB/MucB/SamB family protein	0.0089	0.2299	0.2759
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0288	0.8203	0.8203
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.9478	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Entamoeba histolytica	recQ family helicase, putative	0.0027	0.0474	0.0111
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.009	0.2336	0.2156
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0288	0.8203	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.1133	0.1775
Plasmodium falciparum	metacaspase 1	0.005	0.1146	0.1801
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.1146	0.0849
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2299	0.2299
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0629	0.052
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.1146	0.0849
Trypanosoma brucei	carbonic anhydrase-like protein	0.0288	0.8203	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.9478	1
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.8332	0.8332
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0389	0.1876
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0629	0.0629
Trypanosoma brucei	metacaspase MCA2	0.005	0.1146	0.1167
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0446	0.008
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0289	0.0347
Schistosoma mansoni	DNA polymerase eta	0.0089	0.2299	0.2299
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0021	0.0289	0.0289
Entamoeba histolytica	hypothetical protein	0.0026	0.0446	0.008
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.9478	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0289	0.0289
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0331	0.9478	1
Schistosoma mansoni	ran	0.0024	0.0373	0.0373
Trypanosoma brucei	Metacaspase-4	0.005	0.1146	0.1167
Onchocerca volvulus		0.005	0.1133	0.1359
Brugia malayi	Flap endonuclease-1	0.0029	0.0535	0.0642
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.1146	0.0849
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0373	0.02
Echinococcus multilocularis	carbonic anhydrase	0.0193	0.5391	0.5391
Trypanosoma brucei	DNA polymerase kappa, putative	0.0067	0.1665	0.1816
Schistosoma mansoni	ran	0.0024	0.0373	0.0373
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.8332	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.9478	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0049	0.1111	0.1124
Echinococcus multilocularis	caspase 2	0.0097	0.253	0.253
Loa Loa (eye worm)	hypothetical protein	0.0292	0.8332	0.8332
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.1146	0.0849
Echinococcus multilocularis	snurportin 1	0.0348	1	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0051	0.1184	0.089
Echinococcus multilocularis	caspase	0.0132	0.3589	0.3589
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.1133	0.1133
Trypanosoma cruzi	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0029	0.0535	0.0402
Echinococcus granulosus	dna polymerase kappa	0.009	0.2336	0.2336
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.1133	0.1133
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.006	0.1443	0.1443
Echinococcus multilocularis	bloom syndrome protein	0.0051	0.1184	0.1184
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0193	0.5391	0.647
Brugia malayi	hypothetical protein	0.0016	0.0131	0.0157
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0389	0.0219
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.005	0.1146	0.1801
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0446	0.008
Echinococcus multilocularis	carbonic anhydrase	0.0193	0.5391	0.5391
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.1133	0.1775
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.1133	0.1133
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.005	0.1146	0.1146
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0373	0.0373
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.9478	1
Toxoplasma gondii	hypothetical protein	0.005	0.1133	0.1775
Schistosoma mansoni	hypothetical protein	0.0348	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.1146	0.0849
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.1133	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1044	0.1044
Schistosoma mansoni	importin beta-1	0.0033	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.005	0.1133	0.1133
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0027	0.0474	0.0326
Entamoeba histolytica	Flap nuclease, putative	0.0029	0.0535	0.0178
Plasmodium falciparum	flap endonuclease 1	0.0029	0.0535	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0097	0.253	0.253
Leishmania major	carbonic anhydrase-like protein	0.0288	0.8203	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1133	0.1133
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.1133	0.1133
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0026	0.0435	0.0428
Trypanosoma brucei	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0132	0.3589	0.3589
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0629	0.4453
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0193	0.5391	0.647
Schistosoma mansoni	hypothetical protein	0.0192	0.5352	0.5352
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0288	0.8203	0.9845
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0331	0.9478	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.1133	0.1775
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.0373	0.1711
Trypanosoma cruzi	metacaspase, putative	0.005	0.1146	0.1167
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0193	0.5391	0.647
Echinococcus granulosus	carbonic anhydrase	0.0193	0.5391	0.5391
Plasmodium vivax	metacaspase 1, putative	0.005	0.1146	1
Plasmodium falciparum	metacaspase-like protein	0.005	0.1146	0.1801
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.1133	0.1359
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0027	0.0474	0.0326
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0161	0.4456	0.5
Plasmodium vivax	hypothetical protein, conserved	0.005	0.1146	1
Echinococcus granulosus	apoptotic protease activating factor 1	0.0047	0.1044	0.1044
Treponema pallidum	fructose-bisphosphate aldolase	0.0331	0.9478	1
Echinococcus granulosus	caspase 3	0.0082	0.2103	0.2103
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.1146	0.0849
Trypanosoma brucei	DNA polymerase kappa, putative	0.009	0.2336	0.2657
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.006	0.1443	0.1443
Schistosoma mansoni	blooms syndrome DNA helicase	0.004	0.0863	0.0863
Giardia lamblia	Flap structure-specific endonuclease	0.0029	0.0535	0.0347
Echinococcus granulosus	bloom syndrome protein	0.0051	0.1184	0.1184
Schistosoma mansoni	DNA helicase recq1	0.0021	0.0289	0.0289
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0446	0.0291
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0035	0.069	0.511
Plasmodium vivax	amine transporter, putative	0.005	0.1133	0.9851
Echinococcus granulosus	dna polymerase eta	0.0089	0.2299	0.2299
Trypanosoma brucei	DNA polymerase kappa, putative	0.0049	0.1111	0.1124
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0373	0.02
Loa Loa (eye worm)	hypothetical protein	0.005	0.1133	0.1133
Trypanosoma brucei	DNA polymerase kappa, putative	0.0049	0.1111	0.1124
Schistosoma mansoni	carbonic anhydrase-related	0.0193	0.5391	0.5391
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0446	0.0291
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.1146	0.0849
Schistosoma mansoni	terminal deoxycytidyl transferase	0.006	0.1443	0.1443
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0288	0.8203	1
Echinococcus multilocularis	caspase 3	0.0082	0.2103	0.2103
Plasmodium vivax	hypothetical protein, conserved	0.005	0.1133	0.9851
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0161	0.4456	1
Entamoeba histolytica	hypothetical protein	0.0041	0.0869	0.0544
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.1133	0.1359
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.1146	0.0849
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0029	0.0535	0.0402
Leishmania major	hypothetical protein, conserved	0.0025	0.0389	0.0219
Schistosoma mansoni	carbonic anhydrase-related	0.0193	0.5391	0.5391
Onchocerca volvulus		0.0047	0.1044	0.1253
Echinococcus multilocularis	geminin	0.0192	0.5352	0.5352
Schistosoma mansoni	caspase-7 (C14 family)	0.0097	0.253	0.253
Trypanosoma brucei	unspecified product	0.0041	0.089	0.0846
Toxoplasma gondii	hypothetical protein	0.005	0.1133	0.1775

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	> 3000 nM	Affinity for Serotonin transporter by displacing [3H]-Paroxetine from rat forebrain	ChEMBL.	10969967
Ki (binding)	> 3000 nM	Displacement of [3H]-GBR-12,935 from rat forebrain Dopamine transporter	ChEMBL.	10969967
Ki (binding)	> 3000 nM	Compound has been evaluated for its affinity towards Norepinephrine transporter by displacing the radio isotope [3H]-Nisoxetine from rat forebrain	ChEMBL.	10969967
Ki (binding)	> 3000 nM	Affinity for Serotonin transporter by displacing [3H]-Paroxetine from rat forebrain	ChEMBL.	10969967
Ki (binding)	> 3000 nM	Displacement of [3H]-GBR-12,935 from rat forebrain Dopamine transporter	ChEMBL.	10969967
Ki (binding)	> 3000 nM	Compound has been evaluated for its affinity towards Norepinephrine transporter by displacing the radio isotope [3H]-Nisoxetine from rat forebrain	ChEMBL.	10969967
Selectivity (binding)	= 1	Selectivity for 5-HTT and DAT of rat forebrain	ChEMBL.	10969967

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: CHEMBL50675

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 75248