TDR Targets

Basic information

Technical information

TDR Targets ID: 166499
Name: N-[2-[2-[benzyl(methyl)amino]ethoxy]ethylcarb amothioyl]benzamide
MW: 371.496 | Formula: C20H25N3O2S
H donors: 2 H acceptors: 1 LogP: 3.34 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1ccccc1)CCOCCNC(=S)NC(=O)c1ccccc1
InChi: 1S/C20H25N3O2S/c1-23(16-17-8-4-2-5-9-17)13-15-25-14-12-21-20(26)22-19(24)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H2,21,22,24,26)
InChiKey: KEWKCRNEFJBHSP-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

N-[[2-[2-[benzyl(methyl)amino]ethoxy]ethylamino]-thioxomethyl]benzamide
N-[2-[2-[methyl(phenylmethyl)amino]ethoxy]ethylcarbamothioyl]benzamide
N-[2-[2-[benzyl(methyl)amino]ethoxy]ethylthiocarbamoyl]benzamide
N-[2-[2-(methyl-(phenylmethyl)amino)ethoxy]ethylcarbamothioyl]benzamide
N-[[2-[2-(methyl-(phenylmethyl)amino)ethoxy]ethylamino]-thioxomethyl]benzamide
N-[2-[2-(benzyl-methyl-amino)ethoxy]ethylthiocarbamoyl]benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Acetylcholinesterase	Starlite/ChEMBL	References
Homo sapiens	acetylcholinesterase (Yt blood group)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Acetylcholinesterase	614 aa	583 aa	30.7 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	614 aa	531 aa	39.7 %
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	507 aa	26.4 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	614 aa	602 aa	24.3 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	614 aa	496 aa	24.0 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	614 aa	564 aa	29.8 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	614 aa	547 aa	32.5 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	632 aa	25.6 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	614 aa	642 aa	34.1 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	574 aa	24.0 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	614 aa	577 aa	40.7 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	573 aa	30.5 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	581 aa	27.0 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	614 aa	642 aa	34.0 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	570 aa	25.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0099	0.0284
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0772	0.0772
Entamoeba histolytica	hypothetical protein	0.004	0.0772	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3488	1
Entamoeba histolytica	hypothetical protein	0.004	0.0772	1
Schistosoma mansoni	coup transcription factor	0.0011	0.0132	0.0132
Onchocerca volvulus		0.0028	0.0491	0.8292
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0359	0.1031
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0132	0.0132
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0132	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0132	0.0379
Echinococcus granulosus	carboxylesterase 5A	0.0164	0.3488	0.3488
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0491	0.1409
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0059	0.0059
Schistosoma mansoni	gliotactin	0.0028	0.0491	0.0491
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0014	0.0041
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0132	0.0132
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0132	0.0132
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0359	0.7059
Schistosoma mansoni	hypothetical protein	0.019	0.4074	0.4074
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0014	0.0014
Brugia malayi	Carboxylesterase family protein	0.0028	0.0491	0.1409
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0359	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0132	0.0379
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0132	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0132	0.0379
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0132	0.0132
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0132	0.0379
Schistosoma mansoni	cpg binding protein	0.0034	0.0633	0.0633
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0014	0.0041
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0359	0.714
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0028	0.0491	0.0491
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0132	0.0379
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0102	0.0102
Schistosoma mansoni	cpg binding protein	0.0034	0.0633	0.0633
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	0.3488	0.3488
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0132	0.0132
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.3488	0.3488
Schistosoma mansoni	hypothetical protein	0.019	0.4074	0.4074
Onchocerca volvulus		0.0032	0.0592	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0014	0.0041
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0359	0.0359
Echinococcus granulosus	dna polymerase eta	0.0022	0.0359	0.0359
Trichomonas vaginalis	spcc417.12 protein, putative	0.0028	0.0491	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0359	0.0359
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0028	0.0491	0.0491
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0132	0.0132
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0211	0.55
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0132	0.0379
Onchocerca volvulus		0.0011	0.0132	0.2229
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0132	0.0379
Entamoeba histolytica	hypothetical protein	0.004	0.0772	1
Brugia malayi	Carboxylesterase family protein	0.0028	0.0491	0.1409
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0132	0.0132
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0132	0.0379
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0132	0.0379
Echinococcus granulosus	acetylcholinesterase	0.0164	0.3488	0.3488
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0132	0.0132
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0132	0.0379
Brugia malayi	Carboxylesterase family protein	0.0028	0.0491	0.1409
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0359	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Echinococcus granulosus	geminin	0.019	0.4074	0.4074
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0132	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0132	0.0379
Echinococcus multilocularis	neuroligin	0.0028	0.0491	0.0491
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0132	0.0379
Onchocerca volvulus		0.0028	0.0491	0.8292
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0132	0.0379
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0132	0.0132
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0359	0.0359
Echinococcus granulosus	neuroligin	0.0028	0.0491	0.0491
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0014	0.0041
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0132	0.0132
Entamoeba histolytica	hypothetical protein	0.004	0.0772	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0132	0.0132
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0359	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0359	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0132	0.0379
Echinococcus multilocularis	cpg binding protein	0.0034	0.0633	0.0633
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0359	0.714
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0132	0.0132
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0132	0.0379
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0359	0.0359
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0132	0.0132
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0132	0.0379
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.1409
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0028	0.0491	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.1409
Plasmodium falciparum	DNA repair protein REV1, putative	0.0007	0.003	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0132	0.0132
Mycobacterium ulcerans	carboxylesterase, LipT	0.0028	0.0491	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0132	0.0379
Brugia malayi	nuclear hormone receptor	0.0011	0.0132	0.0379
Echinococcus granulosus	cpg binding protein	0.0034	0.0633	0.0633
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0359	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0359	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.1389	0.1389
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0132	0.0132
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0014	0.0014
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0132	0.0379
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0359	0.0359
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0132	0.0132
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0491	0.0491
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0359	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0132	0.0379
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0359	0.0359
Trypanosoma brucei	unspecified product	0.0015	0.0211	0.55
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0059	0.0059
Echinococcus multilocularis	dnaJ subfamily B	0.0459	1	1
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0592	0.1699
Brugia malayi	Carboxylesterase family protein	0.0164	0.3488	1
Onchocerca volvulus		0.0028	0.0491	0.8292
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.3488	0.3488
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.1228	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.003	0.0087
Schistosoma mansoni	hypothetical protein	0.0459	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0014	0.0041
Echinococcus granulosus	BC026374 protein S09 family	0.0028	0.0491	0.0491
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0132	0.0132
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0132	0.0132
Brugia malayi	polk-prov protein	0.0007	0.003	0.0087
Echinococcus multilocularis	para nitrobenzyl esterase	0.0028	0.0491	0.0491
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0359	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0132	0.2229
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0059	0.0059
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0132	0.0132
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0491	1
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.1409
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0132	0.0132
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0132	0.0132
Brugia malayi	Carboxylesterase family protein	0.0164	0.3488	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Plasmodium vivax	DNA repair protein REV1, putative	0.0007	0.003	0.5
Brugia malayi	ecdysteroid receptor	0.0011	0.0132	0.0379
Echinococcus multilocularis	carboxylesterase 5A	0.0164	0.3488	0.3488
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0359	0.1031
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0359	0.1031
Brugia malayi	steroid hormone receptor	0.0011	0.0132	0.0379
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0772	0.0772
Schistosoma mansoni	hypothetical protein	0.004	0.0772	0.0772
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0014	0.0041
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0028	0.0491	0.0491
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0132	0.0379
Schistosoma mansoni	DNA polymerase IV / kappa	0.0007	0.003	0.003
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0491	0.0491
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0359	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0014	0.0014
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Trypanosoma brucei	unspecified product	0.0022	0.0359	1
Trypanosoma brucei	unspecified product	0.0015	0.0211	0.55
Brugia malayi	hypothetical protein	0.004	0.0772	0.2214
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0132	0.0379
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0102	0.0102
Loa Loa (eye worm)	carboxylesterase	0.0164	0.3488	1
Brugia malayi	hypothetical protein	0.0006	0.0014	0.0041
Brugia malayi	hypothetical protein	0.0028	0.0491	0.1409
Echinococcus granulosus	para nitrobenzyl esterase	0.0028	0.0491	0.0491
Schistosoma mansoni	cpg binding protein	0.0032	0.0592	0.0592
Echinococcus granulosus	acetylcholinesterase	0.0164	0.3488	0.3488
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.1409
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0132	0.0132
Schistosoma mansoni	acetylcholinesterase	0.0028	0.0491	0.0491
Onchocerca volvulus		0.0028	0.0491	0.8292
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0014	0.0041
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0028	0.0491	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0491	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0028	0.0491	0.0491
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0359	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.1409
Echinococcus multilocularis	geminin	0.019	0.4074	0.4074
Brugia malayi	hypothetical protein	0.0006	0.0014	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3488	1
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0772	0.0772
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0211	0.55
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0132	0.0379
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0132	0.0379
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	0.3488	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.1409
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0059	0.0059
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0132	0.0379
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0132	0.2229
Leishmania major	DNA polymerase eta, putative	0.0022	0.0359	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0014	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0132	0.0379
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0211	0.55
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0014	0.0014
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0359	1
Brugia malayi	Carboxylesterase family protein	0.0028	0.0491	0.1409
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0132	0.0379
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0132	0.0132
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0359	0.0359
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0132	0.0132
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0132	0.0379
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0359	0.1031
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0491	0.1409
Onchocerca volvulus		0.0028	0.0491	0.8292
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0132	0.0379
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0491	0.0491
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0132	0.2229
Brugia malayi	nuclear receptor RXR	0.0006	0.0014	0.0041
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0592	0.1699
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0359	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0359	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0359	0.7059
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0132	0.0379
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0132	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.1409
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0028	0.0491	0.0491
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0102	0.0292

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 120 nM	In vitro inhibitory effect on rat Acetylcholinesterase	ChEMBL.	7636858
IC50 (binding)	= 120 nM	In vitro inhibitory effect on rat Acetylcholinesterase	ChEMBL.	7636858
IC50 (binding)	= 120 nM	Inhibition of AChE	ChEMBL.	20053484

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: CHEMBL100334
PubChem: 9976499

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 166499