TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 755.045 | Formula: C46H50N4O2S2
H donors: 2 H acceptors: 2 LogP: 7.77 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: O=C([C@@H]1C2CCC(N2C)C[C@@H]1c1ccc(cc1)c1cscc1)NCc1cccc(c1)CNC(=O)[C@H]1C2CCC(N2C)C[C@@H]1c1ccc(cc1)c1cscc1
InChi: 1S/C46H50N4O2S2/c1-49-37-14-16-41(49)43(39(23-37)33-10-6-31(7-11-33)35-18-20-53-27-35)45(51)47-25-29-4-3-5-30(22-29)26-48-46(52)44-40(24-38-15-17-42(44)50(38)2)34-12-8-32(9-13-34)36-19-21-54-28-36/h3-13,18-22,27-28,37-44H,14-17,23-26H2,1-2H3,(H,47,51)(H,48,52)/t37?,38?,39-,40-,41?,42?,43-,44+/m1/s1
InChiKey: RLTILGBQVNXKRQ-DDZGMJBXSA-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 4	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 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Treponema pallidum	sodium- and chloride- dependent 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
Echinococcus multilocularis	serotonin 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
Loa Loa (eye worm)	serotonin transporter b	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
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)	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
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	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
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	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
Loa Loa (eye worm)	solute carrier family 6 member 4	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

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 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 %
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
Plasmodium vivax	flap endonuclease 1, putative	0.0066	0.0658	0.7231
Brugia malayi	XPG I-region family protein	0.0013	0.0057	0.0177
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0467	0.0525
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.003	0.0245	0.068
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0467	0.0525
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0066	0.0658	0.7317
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0124	0.0386
Trichomonas vaginalis	flap endonuclease-1, putative	0.0013	0.0057	0.005
Echinococcus granulosus	dnaJ subfamily B	0.0791	0.8893	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0244	0.268	0.8323
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0467	0.1449
Leishmania major	trypanothione reductase	0.0087	0.0888	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0467	0.0525
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family	0.0013	0.0057	0.0064
Echinococcus granulosus	intermediate filament protein	0.003	0.0239	0.0269
Loa Loa (eye worm)	hypothetical protein	0.003	0.0239	0.0744
Brugia malayi	Smad1	0.0017	0.0093	0.0288
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0239	0.0744
Echinococcus granulosus	microtubule associated protein 2	0.0579	0.6478	0.7284
Echinococcus multilocularis	dna polymerase kappa	0.0016	0.0088	0.0088
Schistosoma mansoni	DNA polymerase eta	0.0016	0.0088	0.0098
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0141	0.1506	0.4677
Loa Loa (eye worm)	hypothetical protein	0.005	0.0467	0.1449
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0118	0.1243	0.1397
Schistosoma mansoni	ap endonuclease	0.0018	0.0113	0.0127
Brugia malayi	intermediate filament protein	0.003	0.0239	0.0744
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0113	0.0963
Brugia malayi	MH1 domain containing protein	0.0017	0.0093	0.0288
Schistosoma mansoni	hypothetical protein	0.0322	0.3556	0.3999
Loa Loa (eye worm)	hypothetical protein	0.005	0.0467	0.1449
Brugia malayi	MH1 domain containing protein	0.0009	0.0008	0.0026
Trichomonas vaginalis	flap endonuclease-1, putative	0.0013	0.0057	0.005
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0084	0.026
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0035	0.0035
Schistosoma mansoni	lamin	0.003	0.0239	0.0269
Leishmania major	DNA polymerase kappa, putative	0.0016	0.0088	0.0367
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0093	0.0104
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0112	0.0107
Echinococcus multilocularis	microtubule associated protein 2	0.0579	0.6478	0.6478
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.0093	0.0104
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.022	0.24	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.003	0.0245	0.2499
Echinococcus granulosus	thioredoxin glutathione reductase	0.0087	0.0888	0.0999
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.3221	1
Brugia malayi	hypothetical protein	0.005	0.0467	0.1449
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0124	0.018
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0016	0.0088	0.0088
Echinococcus granulosus	SAM and MBT domain containing protein	0.0052	0.0498	0.056
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0035	0.0039
Brugia malayi	hypothetical protein	0.0017	0.0092	0.0287
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0017	0.0099	0.0111
Schistosoma mansoni	hypothetical protein	0.0147	0.1578	0.1774
Brugia malayi	Flap endonuclease-1	0.0066	0.0658	0.2044
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0112	0.0107
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0198	0.215	0.8916
Treponema pallidum	NADH oxidase	0.003	0.0245	0.0424
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0467	0.393
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.003	0.0245	0.226
Echinococcus multilocularis	DNA repair protein complementing XP G cells	0.0013	0.0057	0.0057
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0066	0.0066
Loa Loa (eye worm)	glutaminase	0.0196	0.2131	0.6617
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.003	0.0245	0.2499
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0198	0.215	0.8862
Echinococcus granulosus	histone acetyltransferase MYST2	0.006	0.058	0.0652
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.3221	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0016	0.0088	0.0098
Onchocerca volvulus		0.0056	0.0535	0.1661
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0112	0.0107
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.003	0.0245	0.1802
Trypanosoma cruzi	DNA polymerase eta, putative	0.0016	0.0088	0.0367
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0093	0.0288
Echinococcus multilocularis	cpg binding protein	0.0059	0.0571	0.0571
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0014	0.0061	0.0068
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0199	0.0481
Schistosoma mansoni	cpg binding protein	0.0059	0.0571	0.0642
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0113	0.0351
Brugia malayi	MH2 domain containing protein	0.0244	0.268	0.8323
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0199	0.0618
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0467	0.393
Brugia malayi	glutaminase DH11.1	0.0196	0.2131	0.6617
Echinococcus granulosus	serotonin transporter	0.0292	0.3221	0.3621
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0199	0.0618
Echinococcus granulosus	smad	0.0017	0.0093	0.0104
Brugia malayi	MH1 domain containing protein	0.0009	0.0008	0.0026
Trypanosoma brucei	unspecified product	0.0016	0.0088	0.0665
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0052	0.0498	0.1545
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.003	0.0245	0.077
Trichomonas vaginalis	mercuric reductase, putative	0.003	0.0245	0.0951
Plasmodium falciparum	thioredoxin reductase	0.003	0.0245	0.226
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0467	0.393
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0199	0.0545
Loa Loa (eye worm)	hypothetical protein	0.005	0.0467	0.1449
Trypanosoma brucei	DNA polymerase IV, putative	0.0016	0.0088	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3221	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0084	0.026
Onchocerca volvulus		0.0026	0.0199	0.0618
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0088	0.0367
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0016	0.0088	0.0196
Trypanosoma brucei	DNA repair protein RAD2, putative	0.0013	0.0057	0.0309
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0199	0.0545
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0113	0.0674
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0113	0.0674
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0467	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0088	0.0272
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.003	0.0245	0.0275
Echinococcus granulosus	cpg binding protein	0.0059	0.0571	0.0642
Plasmodium vivax	glutathione reductase, putative	0.0087	0.0888	1
Echinococcus granulosus	lamin dm0	0.003	0.0239	0.0269
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0196	0.1671
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0467	0.1449
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.003	0.0245	0.226
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0467	0.1449
Brugia malayi	mbt repeat family protein	0.0052	0.0498	0.1545
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0198	0.215	0.8916
Leishmania major	hypothetical protein, conserved	0.0026	0.0196	0.1671
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0196	0.1671
Entamoeba histolytica	hypothetical protein	0.0109	0.1142	1
Plasmodium falciparum	glutathione reductase	0.0087	0.0888	1
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0467	0.4929
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0066	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0124	0.0386
Echinococcus granulosus	flap endonuclease GEN 1	0.0013	0.0057	0.0064
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0113	0.0674
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0014	0.0061	0.0068
Toxoplasma gondii	hypothetical protein	0.005	0.0467	0.393
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0109	0.1142	0.1285
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.006	0.058	0.0652
Echinococcus multilocularis	polycomb protein SCMH1	0.0052	0.0498	0.0498
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.3221	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0467	0.0525
Onchocerca volvulus		0.0052	0.0498	0.1545
Echinococcus multilocularis	lamin	0.003	0.0239	0.0239
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0467	0.0525
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.0093	0.0104
Echinococcus multilocularis	lamin dm0	0.003	0.0239	0.0239
Schistosoma mansoni	cpg binding protein	0.0056	0.0535	0.0601
Schistosoma mansoni	ap endonuclease	0.0018	0.0113	0.0127
Entamoeba histolytica	hypothetical protein	0.0109	0.1142	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0113	0.0125
Trypanosoma brucei	DNA polymerase IV, putative	0.0016	0.0088	0.0665
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0199	0.0618
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0093	0.0104
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0113	0.0674
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.003	0.0245	0.3523
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0199	0.0545
Loa Loa (eye worm)	hypothetical protein	0.005	0.0467	0.1449
Entamoeba histolytica	hypothetical protein	0.0109	0.1142	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0199	0.0618
Schistosoma mansoni	hypothetical protein	0.0147	0.1578	0.1774
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.0093	0.0093
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.003	0.0245	0.226
Echinococcus granulosus	geminin	0.0147	0.1578	0.1774
Onchocerca volvulus		0.0292	0.3221	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0198	0.215	0.8916
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.003	0.0245	0.226
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.003	0.0245	0.226
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0467	0.4929
Trichomonas vaginalis	flap endonuclease-1, putative	0.0013	0.0057	0.005
Plasmodium falciparum	flap endonuclease 1	0.0066	0.0658	0.7231
Loa Loa (eye worm)	thioredoxin reductase	0.0087	0.0888	0.2758
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0113	0.0319
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0105	0.1099	1
Trichomonas vaginalis	glutathione reductase, putative	0.003	0.0245	0.0951
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0199	0.0481
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0113	0.0351
Giardia lamblia	DINP protein human, muc B family	0.0016	0.0088	0.0508
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.003	0.0245	1
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0239	0.0744
Schistosoma mansoni	transcription factor LCR-F1	0.0109	0.1142	0.1285
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0245	0.226
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0016	0.0088	0.0367
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0199	0.0545
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0467	0.0467
Schistosoma mansoni	hypothetical protein	0.0791	0.8893	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0467	0.0525
Echinococcus granulosus	lamin	0.003	0.0239	0.0269
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0245	0.226
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0196	0.1332
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0066	0.0074
Schistosoma mansoni	glutaminase	0.0196	0.2131	0.2396
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0022	0.0154	0.0479
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0022	0.0154	0.0479
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0113	0.011
Plasmodium falciparum	thioredoxin reductase	0.0087	0.0888	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0014	0.0061	0.0061
Schistosoma mansoni	hypothetical protein	0.0012	0.0035	0.0039
Toxoplasma gondii	thioredoxin reductase	0.0087	0.0888	0.7975
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0141	0.1506	0.1506
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0467	0.0467
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0113	0.0319
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0498	0.056
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0199	0.0545
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0199	0.1307
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0467	0.1449
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0196	0.0608
Echinococcus granulosus	Smad4	0.0017	0.0093	0.0104
Trypanosoma cruzi	trypanothione reductase, putative	0.0087	0.0888	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0467	0.1449
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.1506	0.1694
Giardia lamblia	Flap structure-specific endonuclease	0.0066	0.0658	1
Echinococcus granulosus	flap endonuclease 1	0.0066	0.0658	0.074
Plasmodium vivax	amine transporter, putative	0.005	0.0467	0.4929
Loa Loa (eye worm)	transcription factor SMAD2	0.0244	0.268	0.8323
Toxoplasma gondii	hypothetical protein	0.005	0.0467	0.393
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0199	0.0618
Brugia malayi	Thioredoxin reductase	0.0087	0.0888	0.2758
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0467	0.0467
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0113	0.0933
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0113	0.0127
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0088	0.0367
Loa Loa (eye worm)	flap endonuclease-1	0.0066	0.0658	0.2044
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0113	0.0674
Plasmodium falciparum	transporter, putative	0.005	0.0467	0.4929
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0113	0.0113
Onchocerca volvulus		0.003	0.0239	0.0744
Echinococcus granulosus	exonuclease 1	0.0013	0.0057	0.0064
Echinococcus granulosus	dna polymerase kappa	0.0016	0.0088	0.0098
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0088	0.0367
Schistosoma mansoni	exonuclease	0.0013	0.0057	0.0064
Trichomonas vaginalis	exonuclease%2C+putative	0.0013	0.0057	0.005
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0498	0.056
Schistosoma mansoni	myelin transcription factor 1 myt1	0.006	0.058	0.0652
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0141	0.1506	0.1694
Brugia malayi	MH2 domain containing protein	0.0017	0.0093	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0124	0.0386
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0196	0.1671
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0014	0.0061	0.0068
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0066	0.0658	0.5766
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0016	0.0088	0.0098
Trypanosoma cruzi	trypanothione reductase, putative	0.003	0.0245	0.226
Trypanosoma brucei	trypanothione reductase	0.0087	0.0888	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0052	0.0498	0.056
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0467	0.0525
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0467	0.0525
Loa Loa (eye worm)	Smad1	0.0017	0.0093	0.0288
Schistosoma mansoni	smad	0.0017	0.0093	0.0104
Trichomonas vaginalis	flap endonuclease-1, putative	0.0013	0.0057	0.005
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0199	0.1706
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.021	0.2286	0.2286
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0467	0.0525
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0245	0.226
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.3221	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0016	0.0088	0.0272
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0196	0.1671
Echinococcus granulosus	DNA repair protein complementing XP G cells	0.0013	0.0057	0.0064
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.003	0.0245	0.076
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.003	0.0245	0.226
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0467	0.0525
Mycobacterium tuberculosis	Probable oxidoreductase	0.022	0.24	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0199	0.1706
Echinococcus multilocularis	dna polymerase eta	0.0016	0.0088	0.0088
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.022	0.24	1
Leishmania major	DNA polymerase eta, putative	0.0016	0.0088	0.0367
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.006	0.058	0.058
Trichomonas vaginalis	glutaminase, putative	0.0196	0.2131	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0016	0.0088	0.0196
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0467	0.0525
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0467	0.0467
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0112	0.0107
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0087	0.0888	0.3462
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0016	0.0088	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0014	0.006	0.0185
Schistosoma mansoni	Smad4	0.0017	0.0093	0.0104
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0467	0.1449
Echinococcus granulosus	polycomb protein SCMH1	0.0052	0.0498	0.056
Onchocerca volvulus		0.005	0.0467	0.1449
Echinococcus multilocularis	flap endonuclease GEN 1	0.0013	0.0057	0.0057
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.003	0.0245	0.077
Loa Loa (eye worm)	hypothetical protein	0.005	0.0467	0.1449
Loa Loa (eye worm)	nuclear factor I	0.0009	0.0008	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0057	0.0177
Echinococcus multilocularis	flap endonuclease 1	0.0066	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3221	1
Schistosoma mansoni	cpg binding protein	0.0059	0.0571	0.0642
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.021	0.2286	0.2571
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0066	0.0658	0.7231
Loa Loa (eye worm)	glutathione reductase	0.0087	0.0888	0.2758
Echinococcus multilocularis	serotonin transporter	0.0292	0.3221	0.3221
Brugia malayi	hypothetical protein	0.0109	0.1142	0.3547
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0017	0.0099	0.0099
Loa Loa (eye worm)	histone methyltransferase	0.0017	0.0099	0.0307
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.003	0.0245	0.226
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0467	0.0525
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.003	0.0245	0.2499
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0199	0.0545
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0467	0.0525
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0124	0.0809
Schistosoma mansoni	intermediate filament proteins	0.003	0.0239	0.0269
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0124	0.0809
Giardia lamblia	NADH oxidase lateral transfer candidate	0.003	0.0245	0.3125
Echinococcus multilocularis	dnaJ subfamily B	0.0791	0.8893	0.8893
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.0088	0.0272
Loa Loa (eye worm)	hypothetical protein	0.005	0.0467	0.1449
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0196	0.1929
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0141	0.1506	0.1506
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0498	0.1545
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0199	0.1307
Loa Loa (eye worm)	hypothetical protein	0.006	0.058	0.18
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0124	0.0159
Schistosoma mansoni	hypothetical protein	0.0109	0.1142	0.1285
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.003	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0124	0.0386
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0245	0.226
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.3221	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0056	0.0535	0.1661
Echinococcus multilocularis	exonuclease 1	0.0013	0.0057	0.0057
Echinococcus multilocularis	musashi	0.003	0.0239	0.0239
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.003	0.0245	0.0275
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Schistosoma mansoni	flap endonuclease-1	0.006	0.0586	0.0659
Brugia malayi	mbt repeat family protein	0.0052	0.0498	0.1545
Brugia malayi	MH2 domain containing protein	0.0017	0.0093	0.0288
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.3221	0.3621
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.003	0.0245	0.226
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0245	0.226
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0239	0.0744
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0016	0.0088	0.0098
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0199	0.0545
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.3221	0.3621
Echinococcus granulosus	dna polymerase eta	0.0016	0.0088	0.0098
Echinococcus multilocularis	geminin	0.0147	0.1578	0.1578
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0233	0.0725
Plasmodium falciparum	glutathione reductase	0.003	0.0245	0.226
Trypanosoma brucei	DNA polymerase eta, putative	0.0016	0.0088	0.0665
Onchocerca volvulus		0.003	0.0239	0.0744
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.003	0.0245	0.077
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0113	0.0517
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0199	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0014	0.006	0.0185
Entamoeba histolytica	Flap nuclease, putative	0.0066	0.0658	0.5539
Brugia malayi	CXXC zinc finger family protein	0.0056	0.0535	0.1661
Brugia malayi	F/Y-rich N-terminus family protein	0.0017	0.0096	0.03
Schistosoma mansoni	lamin	0.003	0.0239	0.0269
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0109	0.1142	0.1142
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0198	0.215	0.8916
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family member	0.0013	0.0057	0.0064
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0093	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0057	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0124	0.0386
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.003	0.0245	0.226
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.022	0.24	1
Echinococcus multilocularis	smad	0.0017	0.0093	0.0093
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.003	0.0245	1
Schistosoma mansoni	microtubule-associated protein tau	0.0579	0.6478	0.7284
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0199	0.1706
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Toxoplasma gondii	NADPH-glutathione reductase	0.003	0.0245	0.1802
Brugia malayi	glutathione reductase	0.0087	0.0888	0.2758
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0052	0.0498	0.0498
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0467	0.0525
Plasmodium vivax	thioredoxin reductase, putative	0.0087	0.0888	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.0088	0.0272
Echinococcus multilocularis	Smad4	0.0017	0.0093	0.0093
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0088	0.0665
Toxoplasma gondii	exonuclease III APE	0.0018	0.0113	0.0538
Trypanosoma brucei	DNA polymerase IV, putative	0.0016	0.0088	0.0665
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0141	0.1506	0.4677
Loa Loa (eye worm)	mbt repeat family protein	0.0052	0.0498	0.1545
Mycobacterium ulcerans	glutaminase	0.0196	0.2131	1
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3221	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0196	0.1671
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0245	0.226
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0014	0.0061	0.0061
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.006	0.058	0.18
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0467	1
Loa Loa (eye worm)	XPG I-region family protein	0.0013	0.0057	0.0177
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0198	0.215	0.8916
Trichomonas vaginalis	flap endonuclease-1, putative	0.0066	0.0658	0.2934
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0087	0.0888	0.0888
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0066	0.0658	0.7231
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0088	0.0367
Mycobacterium tuberculosis	Probable reductase	0.0198	0.215	0.8916
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0199	0.0545
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0093	0.0104
Loa Loa (eye worm)	MBCTL1	0.006	0.058	0.18
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.003	0.0245	0.226
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0467	0.0525
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.0093	0.0104
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0467	0.0525
Brugia malayi	MH1 domain containing protein	0.0017	0.0093	0.0288
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0141	0.1506	0.1694
Entamoeba histolytica	hypothetical protein	0.0109	0.1142	1
Onchocerca volvulus		0.005	0.0467	0.1449
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0467	0.0525
Onchocerca volvulus		0.005	0.0467	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0199	0.0618
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0467	0.1449
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.1506	0.1694
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.003	0.0245	0.2499
Trypanosoma brucei	exonuclease, putative	0.0013	0.0057	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0008	0.0026
Brugia malayi	hypothetical protein	0.0026	0.0196	0.0608
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.1506	0.1694
Loa Loa (eye worm)	glutaminase 2	0.0196	0.2131	0.6617
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.0093	0.0093
Echinococcus multilocularis	histone acetyltransferase MYST2	0.006	0.058	0.058

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 230 nM	Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green monkey COS1 cells by liquid scintillation counting	ChEMBL.	19560930
Ki (binding)	= 860 nM	Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african green monkey COS1 cells by liquid scintillation counting	ChEMBL.	19560930
Ki (binding)	= 1200 nM	Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green monkey COS1 cells by liquid scintillation counting	ChEMBL.	19560930

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: CHEMBL607548

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1101176