TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 439.373 | Formula: C21H30INO
H donors: 1 H acceptors: 1 LogP: 5.54 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1I
InChi: 1S/C21H30INO/c22-19-8-4-3-7-18(19)15-9-11-23(12-10-15)20-13-16-5-1-2-6-17(16)14-21(20)24/h3-4,7-8,15-17,20-21,24H,1-2,5-6,9-14H2/t16-,17-,20?,21?/m0/s1
InChiKey: ZORGJQSIYWHYSL-AMZMEHNNSA-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	Vesicular acetylcholine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Sigma opioid receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Echinococcus multilocularis	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Brugia malayi	vesicular acetylcholine transporter unc-17	Get druggable targets OG5_133283	All targets in OG5_133283
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative	Get druggable targets OG5_133283	All targets in OG5_133283
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Echinococcus granulosus	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	Get druggable targets OG5_133283	All targets in OG5_133283
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	Get druggable targets OG5_133283	All targets in OG5_133283
Schistosoma mansoni	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	synaptic vesicular amine transporter	Vesicular acetylcholine transporter	530 aa	479 aa	37.0 %
Brugia malayi	Abnormal catecholamine distribution protein 1	Vesicular acetylcholine transporter	530 aa	504 aa	33.7 %
Loa Loa (eye worm)	abnormal catecholamine distribution protein 1	Vesicular acetylcholine transporter	530 aa	507 aa	34.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	notch	0.0017	0.0295	0.0329
Schistosoma mansoni	ferritin light chain	0.0017	0.0292	0.0325
Echinococcus multilocularis	peroxidasin	0.0091	0.1981	0.2193
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0054	0.0633
Onchocerca volvulus	Peroxidasin homolog	0.0091	0.1981	0.2972
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0068	0.0048
Echinococcus multilocularis	protein jagged 1	0.0017	0.0295	0.0303
Onchocerca volvulus	Dual oxidase homolog	0.0091	0.1981	0.2972
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0852	1
Loa Loa (eye worm)	Notch2	0.0017	0.0295	0.0271
Schistosoma mansoni	cell polarity protein	0.0017	0.0295	0.0329
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0054	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.1981	0.1961
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0017	0.0295	0.0329
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0267	0.5968	0.6664
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.1981	0.1961
Echinococcus granulosus	neurogenic locus notch protein	0.0017	0.0295	0.0303
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0017	0.0295	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0773	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0295	0.0329
Echinococcus granulosus	peroxidasin	0.0091	0.1981	0.2193
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0341	0.0354
Trichomonas vaginalis	ferritin, putative	0.0017	0.0292	0.3425
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0341	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.0295	0.0271
Schistosoma mansoni	cpg binding protein	0.003	0.0581	0.0648
Echinococcus multilocularis	protein jagged 2	0.0017	0.0295	0.0303
Onchocerca volvulus		0.0028	0.0545	0.0439
Brugia malayi	EGF-like domain containing protein	0.0017	0.0295	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Schistosoma mansoni	ferritin	0.0017	0.0292	0.0325
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0773	1
Schistosoma mansoni	notch	0.0017	0.0295	0.0329
Echinococcus multilocularis	slit 2 protein	0.0017	0.0295	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.3022	0.336
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0106	0.0092
Echinococcus multilocularis	protein jagged 1	0.0017	0.0295	0.0303
Brugia malayi	Cadherin domain containing protein	0.0017	0.0295	0.0271
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0773	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0341	0.0317
Trichomonas vaginalis	helicase, putative	0.0006	0.0054	0.0633
Schistosoma mansoni	hypothetical protein	0.0017	0.0295	0.0329
Echinococcus multilocularis	neurogenic locus notch protein	0.0017	0.0295	0.0303
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0017	0.0292	0.5
Echinococcus multilocularis	neurogenic locus protein delta	0.0017	0.0295	0.0303
Brugia malayi	GCC2 and GCC3 family protein	0.0017	0.0295	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Onchocerca volvulus	Peroxidase homolog	0.0091	0.1981	0.2972
Echinococcus granulosus	protein jagged 1	0.0017	0.0295	0.0303
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0341	0.4004
Echinococcus granulosus	slit 2 protein	0.0017	0.0295	0.0303
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.119	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Echinococcus multilocularis	neural cadherin	0.0017	0.0295	0.0303
Echinococcus multilocularis	neurogenic locus notch protein	0.0017	0.0295	0.0303
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0054	0.0633
Schistosoma mansoni	zinc finger protein	0.0005	0.0025	0.0026
Echinococcus granulosus	neurogenic locus notch protein 4	0.0017	0.0295	0.0303
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0852	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0341	0.3986
Leishmania major	C-8 sterol isomerase-like protein	0.0445	1	1
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0054	0.0633
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0267	0.5968	1
Schistosoma mansoni	apoferritin-2	0.0017	0.0292	0.0325
Onchocerca volvulus	Chorion peroxidase homolog	0.0091	0.1981	0.2972
Echinococcus multilocularis	notch	0.0017	0.0295	0.0303
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.1981	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Echinococcus granulosus	neural cadherin	0.0017	0.0295	0.0303
Onchocerca volvulus	Peroxidase homolog	0.0091	0.1981	0.2972
Schistosoma mansoni	hypothetical protein	0.0017	0.0295	0.0329
Loa Loa (eye worm)	blistered cuticle protein 3	0.0091	0.1981	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Brugia malayi	Blistered cuticle protein 3	0.0091	0.1981	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Echinococcus granulosus	delta-like protein 1	0.0017	0.0295	0.0303
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0852	0.6215
Echinococcus multilocularis	ferritin	0.0017	0.0292	0.0299
Brugia malayi	EGF-like domain containing protein	0.0017	0.0295	0.0271
Echinococcus granulosus	fibropellin Ia	0.0017	0.0295	0.0303
Schistosoma mansoni	peroxidasin	0.0091	0.1981	0.2214
Echinococcus granulosus	neurogenic locus notch protein	0.0017	0.0295	0.0303
Echinococcus multilocularis	cpg binding protein	0.003	0.0581	0.0623
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0017	0.0295	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0341	0.0354
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0341	0.0317
Toxoplasma gondii	exonuclease III APE	0.0019	0.0341	0.051
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Schistosoma mansoni	notch	0.0017	0.0295	0.0329
Schistosoma mansoni	septate junction protein	0.0017	0.0295	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0445	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0068	0.0048
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0852	0.6215
Schistosoma mansoni	hypothetical protein	0.0017	0.0295	0.0329
Brugia malayi	EGF-like domain containing protein	0.0017	0.0295	0.0271
Schistosoma mansoni	apoferritin-2	0.0017	0.0292	0.0325
Echinococcus granulosus	cpg binding protein	0.003	0.0581	0.0623
Schistosoma mansoni	ferritin	0.0017	0.0292	0.0325
Echinococcus multilocularis	neurogenic locus protein delta	0.0017	0.0295	0.0303
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0267	0.5968	0.5958
Echinococcus granulosus	protein jagged 2	0.0017	0.0295	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0227	0.5067	0.5055
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0341	0.0956
Loa Loa (eye worm)	notch protein	0.0017	0.0295	0.0271
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0054	0.0633
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0025	0.0026
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0054	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Onchocerca volvulus		0.0091	0.1981	0.2972
Echinococcus granulosus	dnaJ subfamily B	0.0398	0.8944	1
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0106	0.0082
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0267	0.5968	0.5958
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0054	0.0633
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0545	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Schistosoma mansoni	ferritin	0.0017	0.0292	0.0325
Schistosoma mansoni	ferritin	0.0017	0.0292	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Schistosoma mansoni	laminin gamma-3 chain	0.0017	0.0295	0.0329
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0017	0.0295	0.0271
Brugia malayi	hypothetical protein	0.0091	0.1981	0.1961
Schistosoma mansoni	notch	0.0017	0.0295	0.0329
Schistosoma mansoni	slit	0.0017	0.0295	0.0329
Brugia malayi	Peroxidasin	0.0091	0.1981	0.1961
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0106	0.0092
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.1981	0.1961
Schistosoma mansoni	vesicular acetylcholine transporter	0.0267	0.5968	0.6673
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0341	1
Onchocerca volvulus		0.0091	0.1981	0.2972
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0054	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Onchocerca volvulus		0.0091	0.1981	0.2972
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Schistosoma mansoni	hypothetical protein	0.0398	0.8944	1
Echinococcus granulosus	notch	0.0017	0.0295	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Echinococcus granulosus	ferritin	0.0017	0.0292	0.0299
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.1981	0.1961
Schistosoma mansoni	hypothetical protein	0.0017	0.0295	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Brugia malayi	notch-like transmembrane receptor	0.0017	0.0295	0.0271
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.1981	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Echinococcus granulosus	protein jagged 1	0.0017	0.0295	0.0303
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0104	0.0079
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0341	0.4004
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Schistosoma mansoni	hypothetical protein	0.0017	0.0295	0.0329
Brugia malayi	acetyltransferase, GNAT family protein	0.0141	0.3111	0.3094
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0025	0.0026
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0141	0.3111	0.3478
Brugia malayi	EGF-like domain containing protein	0.0017	0.0295	0.0271
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0852	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.0295	0.0271
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0068	0.0074
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0054	0.0633
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0054	0.0633
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0068	0.0048
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0054	0.0633
Brugia malayi	Muscle positioning protein 4	0.0017	0.0295	0.0271
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0054	0.0633
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0054	0.0633
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0141	0.3111	0.3461
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0545	0.0521
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.0295	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Brugia malayi	EGF-like domain containing protein	0.0017	0.0295	0.0271
Echinococcus multilocularis	fibropellin Ia	0.0017	0.0295	0.0303
Echinococcus granulosus	vesicular acetylcholine transporter	0.0267	0.5968	0.6664
Loa Loa (eye worm)	acetyltransferase	0.0141	0.3111	0.3094
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.1981	0.1961
Schistosoma mansoni	peroxidasin	0.0091	0.1981	0.2214
Schistosoma mansoni	notch	0.0017	0.0295	0.0329
Schistosoma mansoni	ferritin light chain	0.0017	0.0292	0.0325
Brugia malayi	Cadherin domain containing protein	0.0017	0.0295	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0054	0.0633
Schistosoma mansoni	ap endonuclease	0.0019	0.0341	0.038
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0068	0.0048
Schistosoma mansoni	ap endonuclease	0.0019	0.0341	0.038
Schistosoma mansoni	cpg binding protein	0.003	0.0581	0.0648
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0054	0.0633
Schistosoma mansoni	hypothetical protein	0.0017	0.0295	0.0329
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.0295	0.0271
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.1256	0.1403
Echinococcus granulosus	protein jagged 2	0.0017	0.0295	0.0303
Echinococcus granulosus	neurogenic locus protein delta	0.0017	0.0295	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Schistosoma mansoni	cpg binding protein	0.0028	0.0545	0.0608
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0054	0.0633
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.1981	0.1961
Echinococcus multilocularis	dnaJ subfamily B	0.0398	0.8944	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.0295	0.0271
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0341	1
Echinococcus granulosus	expressed protein	0.0017	0.0292	0.0299
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0054	0.0633
Schistosoma mansoni	notch	0.0017	0.0295	0.0329
Echinococcus multilocularis	expressed protein	0.0017	0.0292	0.0299
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0852	0.0927
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.1981	0.1961
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0341	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1981	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Onchocerca volvulus	Peroxidasin homolog	0.0091	0.1981	0.2972
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0295	0.0271
Brugia malayi	Delta serrate ligand family protein	0.0017	0.0295	0.0271

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 20.5 nM	Displacement of (-)-[3H]vesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 60 mins by liquid scintillation counting in presence of DTG	ChEMBL.	22831799
Ki (binding)	= 28.6 nM	Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting	ChEMBL.	22831799
Ki (binding)	= 241.8 nM	Displacement of (+)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cerebral membrane after 90 mins by liquid scintillation counting	ChEMBL.	22831799

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL2064615

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1657513