TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 377.189 | Formula: C18H27N5O2S
H donors: 1 H acceptors: 2 LogP: 1.78 Rotable bonds: 8
Rule of 5 violations (Lipinski): 0
SMILES: COc1ccc2c(c1)sc(n2)NC(=O)CN1CCN(CC1)CCN(C)C
InChi: InChI=1S/C18H27N5O2S/c1-21(2)6-7-22-8-10-23(11-9-22)13-17(24)20-18-19-15-5-4-14(25-3)12-16(15)26-18/h4-5,12H,6-11,13H2,1-3H3,(H,19,20,24)
InChiKey: ZHRGWCFBAOMKKN-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
Electrophorus electricus	Acetylcholinesterase		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	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
Loa Loa (eye worm)	hypothetical 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)	hypothetical 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
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	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
Echinococcus granulosus	acetylcholinesterase	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
Echinococcus multilocularis	carboxylesterase 5A	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	633 aa	622 aa	24.9 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	633 aa	576 aa	28.8 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	633 aa	507 aa	23.9 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	576 aa	23.4 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	633 aa	690 aa	31.7 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	620 aa	28.4 %
Onchocerca volvulus		Acetylcholinesterase	633 aa	648 aa	25.3 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	517 aa	25.1 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	633 aa	549 aa	30.4 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	633 aa	690 aa	32.3 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	597 aa	25.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.0041	0.0322	1
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0041	0.0322	0.0322
Echinococcus multilocularis	multidrug resistance associated protein 7	0.003	0.0218	0.0218
Onchocerca volvulus		0.0041	0.0322	1
Brugia malayi	Cell death protein 3 precursor	0.0032	0.0229	0.3084
Brugia malayi	Carboxylesterase family protein	0.0014	0.0061	0.0652
Entamoeba histolytica	diacylglycerol kinase, putative	0.0041	0.0322	0.0107
Schistosoma mansoni	acetylcholinesterase	0.0014	0.0061	0.0061
Brugia malayi	diacylglycerol kinase	0.0041	0.0322	0.4439
Mycobacterium ulcerans	hypothetical protein	0.1063	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0322	1
Schistosoma mansoni	multidrug resistance protein	0.003	0.0218	0.0218
Plasmodium falciparum	diacylglycerol kinase, putative	0.0041	0.0322	1
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0552	0.777
Schistosoma mansoni	cpg binding protein	0.0031	0.0228	0.0228
Leishmania major	diacylglycerol kinase-like protein	0.0041	0.0322	1
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0706	0.0706
Schistosoma mansoni	cpg binding protein	0.0031	0.0228	0.0228
Onchocerca volvulus	Ceramide kinase 1 homolog	0.0041	0.0322	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0528	0.0528
Trichomonas vaginalis	sphingosine kinase, putative	0.0041	0.0322	1
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0041	0.0322	1
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0041	0.0322	1
Loa Loa (eye worm)	hypothetical protein	0.1063	1	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0229	0.0212
Onchocerca volvulus	Cell death protein 3 homolog	0.0032	0.0229	0.6421
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.003	0.0218	0.1526
Schistosoma mansoni	hypothetical protein	0.0037	0.0283	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0706	0.069
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.003	0.0218	0.2984
Plasmodium vivax	diacylglycerol kinase, putative	0.0041	0.0322	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0464	1
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0041	0.0322	1
Schistosoma mansoni	multidrug resistance protein	0.003	0.0218	0.0218
Echinococcus multilocularis	ceramide kinase	0.0041	0.0322	0.0322
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0017	0.0017
Entamoeba histolytica	hypothetical protein	0.0037	0.0283	0.0067
Plasmodium vivax	diacylglycerol kinase, putative	0.0041	0.0322	1
Leishmania major	pentamidine resistance protein 1	0.003	0.0218	0.2984
Brugia malayi	Carboxylesterase family protein	0.0014	0.0061	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0322	0.0306
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0023	0.0151	0.0151
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.003	0.0218	0.0201
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0552	0.0552
Brugia malayi	hypothetical protein	0.0037	0.0283	0.3873
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0039	0.0039
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.0706	0.0706
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0041	0.0322	1
Trypanosoma cruzi	Sphingosine kinase	0.0041	0.0322	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0322	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0061	0.0044
Echinococcus granulosus	apoptotic protease activating factor 1	0.0032	0.0229	0.0229
Brugia malayi	Ceramide kinase	0.0041	0.0322	0.4439
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0283	0.0283
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0706	0.0706
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0014	0.0061	0.0061
Echinococcus granulosus	neuroligin	0.0014	0.0061	0.0061
Trypanosoma brucei	diacylglycerol kinase, putative	0.0041	0.0322	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0061	0.0061
Schistosoma mansoni	gliotactin	0.0014	0.0061	0.0061
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.0706	0.0706
Echinococcus granulosus	cpg binding protein	0.0031	0.0228	0.0228
Giardia lamblia	Multidrug resistance-associated protein 1	0.003	0.0218	1
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.0041	0.0322	1
Trypanosoma cruzi	Sphingosine kinase	0.0041	0.0322	1
Brugia malayi	Carboxylesterase family protein	0.0014	0.0061	0.0652
Entamoeba histolytica	diacylglycerol kinase, putative	0.0041	0.0322	0.0107
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.0041	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0061	0.0044
Toxoplasma gondii	diacylglycerol kinase accessory domain (presumed) domain-containing protein	0.0041	0.0322	0.5113
Schistosoma mansoni	hypothetical protein	0.0041	0.0322	0.0322
Brugia malayi	TAR-binding protein	0.0066	0.0552	0.777
Leishmania major	ABC-thiol transporter	0.003	0.0218	0.2984
Echinococcus multilocularis	cpg binding protein	0.0031	0.0228	0.0228
Echinococcus multilocularis	sphingosine kinase 1	0.1063	1	1
Schistosoma mansoni	multidrug resistance protein	0.003	0.0218	0.0218
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0024	0.0153	0.0136
Brugia malayi	multidrug resistance related protein 1	0.003	0.0218	0.2928
Trypanosoma brucei	Diacylglycerol kinase catalytic domain containing protein, putative	0.0041	0.0322	1
Leishmania major	hypothetical protein, conserved	0.0041	0.0322	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0283	0.0067
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0174	0.1318
Echinococcus multilocularis	caspase 2	0.0032	0.0229	0.0229
Mycobacterium ulcerans	diacylglycerol kinase	0.0041	0.0322	0.0263
Trypanosoma brucei	p-glycoprotein	0.003	0.0218	0.2984
Echinococcus granulosus	multidrug resistance associated protein 1	0.003	0.0218	0.0218
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.0706	0.0706
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0706	0.0706
Echinococcus multilocularis	para nitrobenzyl esterase	0.0014	0.0061	0.0061
Brugia malayi	CXXC zinc finger family protein	0.003	0.0212	0.284
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.003	0.0218	0.2984
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0212	0.0195
Entamoeba histolytica	hypothetical protein, conserved	0.1063	1	1
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0041	0.0322	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.003	0.0218	0.2984
Schistosoma mansoni	sphingoid long chain base kinase	0.1063	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0216	0.0199
Mycobacterium tuberculosis	Conserved protein	0.1063	1	1
Brugia malayi	Eye-specific diacylglycerol kinase	0.0041	0.0322	0.4439
Onchocerca volvulus		0.0032	0.0229	0.6421
Trichomonas vaginalis	bmru protein, putative	0.0041	0.0322	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0017	0.0017
Entamoeba histolytica	diacylglycerol kinase, putative	0.0041	0.0322	0.0107
Echinococcus granulosus	caspase 2	0.0032	0.0229	0.0229
Brugia malayi	ABC transporter transmembrane region family protein	0.003	0.0218	0.2928
Schistosoma mansoni	multidrug resistance protein	0.003	0.0218	0.0218
Trichomonas vaginalis	sphingosine kinase, putative	0.0041	0.0322	1
Toxoplasma gondii	diacylglycerol kinase, putative	0.0041	0.0322	0.5113
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0552	0.0552
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.0041	0.0322	0.0322
Trichomonas vaginalis	bmru protein, putative	0.0041	0.0322	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.003	0.0218	0.2984
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.0041	0.0322	0.0306
Schistosoma mansoni	BC026374 protein (S09 family)	0.0014	0.0061	0.0061
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0174	0.1318
Echinococcus granulosus	ceramide kinase	0.0041	0.0322	0.0322
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.0706	0.069
Loa Loa (eye worm)	hypothetical protein	0.003	0.0218	0.0201
Leishmania major	p-glycoprotein e	0.003	0.0218	0.2984
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0041	0.0322	1
Schistosoma mansoni	sphingosine kinase A B	0.1063	1	1
Giardia lamblia	MRP-like ABC transporter	0.003	0.0218	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.003	0.0218	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.003	0.0218	0.2984
Entamoeba histolytica	diacylglycerol kinase, putative	0.0041	0.0322	0.0107
Loa Loa (eye worm)	diacylglycerol kinase 2	0.0041	0.0322	0.0306
Plasmodium falciparum	diacylglycerol kinase, putative	0.0041	0.0322	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0218	0.0201
Schistosoma mansoni	hypothetical protein	0.0025	0.0166	0.0166
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.0041	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0229	0.0212
Toxoplasma gondii	diacylglycerol kinase catalytic domain-containing protein	0.0041	0.0322	0.5113
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0014	0.0061	0.0061
Loa Loa (eye worm)	ceramide kinase	0.0041	0.0322	0.0306
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0014	0.0061	0.0061
Brugia malayi	RNA binding protein	0.0066	0.0552	0.777
Echinococcus granulosus	dnaJ subfamily B	0.0424	0.3945	0.3945
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0014	0.0061	0.0061
Schistosoma mansoni	diacylglycerol kinase theta	0.0041	0.0322	0.0322
Trypanosoma cruzi	multidrug resistance protein E, putative	0.003	0.0218	0.3909
Trypanosoma brucei	Sphingosine kinase	0.0041	0.0322	1
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0061	0.0044
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0061	0.0044
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0322	1
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0041	0.0322	1
Echinococcus multilocularis	neuroligin	0.0014	0.0061	0.0061
Echinococcus granulosus	Diacylglycerol kinase zeta	0.0041	0.0322	0.0322
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0322	1
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.003	0.0218	0.2984
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.003	0.0218	0.3909
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0552	0.0552
Leishmania major	hypothetical protein, conserved	0.0041	0.0322	1
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0032	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0061	0.0044
Schistosoma mansoni	caspase-7 (C14 family)	0.0032	0.0229	0.0229
Entamoeba histolytica	hypothetical protein	0.0037	0.0283	0.0067
Brugia malayi	diacylglycerol kinase	0.0041	0.0322	0.4439
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0552	0.0536
Echinococcus granulosus	BC026374 protein S09 family	0.0014	0.0061	0.0061
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0552	0.0536
Brugia malayi	Diacylglycerol kinase protein 2	0.0041	0.0322	0.4439
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0706	0.0706
Leishmania major	diacylglycerol kinase, putative	0.0041	0.0322	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0014	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0061	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0061	0.0044
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0552	0.0552
Schistosoma mansoni	hypothetical protein	0.0424	0.3945	0.3945
Loa Loa (eye worm)	carboxylesterase	0.0082	0.0706	0.069
Echinococcus granulosus	multidrug resistance associated protein 4	0.0023	0.0151	0.0151
Schistosoma mansoni	hypothetical protein	0.0032	0.0229	0.0229
Echinococcus granulosus	multidrug resistance associated protein 7	0.003	0.0218	0.0218
Brugia malayi	hypothetical protein	0.0032	0.0229	0.3084
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0283	0.0283
Brugia malayi	hypothetical protein	0.0026	0.0174	0.2285
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0061	0.0061
Schistosoma mansoni	diacylglycerol kinase theta	0.0041	0.0322	0.0322
Echinococcus granulosus	Diacylglycerol kinase theta	0.0041	0.0322	0.0322
Echinococcus multilocularis	dnaJ subfamily B	0.0424	0.3945	0.3945
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0061	0.0044
Mycobacterium tuberculosis	Diacylglycerol kinase	0.0041	0.0322	0.0263
Brugia malayi	Carboxylesterase family protein	0.0082	0.0706	1
Brugia malayi	Carboxylesterase family protein	0.0082	0.0706	1
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.0041	0.0322	0.0322
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0283	0.0283
Schistosoma mansoni	hypothetical protein	0.0012	0.0039	0.0039
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0041	0.0322	1
Brugia malayi	hypothetical protein	0.0017	0.0087	0.1033
Leishmania major	sphingosine kinase A, B, putative	0.0041	0.0322	1
Brugia malayi	Carboxylesterase family protein	0.0014	0.0061	0.0652
Entamoeba histolytica	hypothetical protein	0.0037	0.0283	0.0067
Echinococcus multilocularis	multidrug resistance associated protein 1	0.003	0.0218	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0706	0.069
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0174	0.0157
Brugia malayi	hypothetical protein	0.0041	0.0322	0.4439
Schistosoma mansoni	cpg binding protein	0.003	0.0212	0.0212
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0552	0.0552
Onchocerca volvulus		0.003	0.0212	0.5777
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0041	0.0322	0.0322
Trypanosoma brucei	multidrug resistance protein E	0.003	0.0218	0.2984
Giardia lamblia	ABC transporter, putative	0.003	0.0218	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0061	0.0044
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0061	0.0061
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0552	0.0552
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0552	0.0552
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0552	0.0536
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.003	0.0218	0.3909
Brugia malayi	hypothetical protein	0.0014	0.0061	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0322	0.0306

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.0946 uM	Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spectrophotometric method	LITERATURE.	27789142
Inhibition (binding)	> 50 %	Inhibition of electric eel AChE at 10'-7 M preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spectrophotometric method relative to control	LITERATURE.	27789142
Inhibition (binding)	> 50 %	Inhibition of electric eel AChE at 10'-6 M preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spectrophotometric method relative to control	LITERATURE.	27789142

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: CHEMBL3899539

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2137121