TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.432 | Formula: C23H21N3O
H donors: 1 H acceptors: 2 LogP: 2.11 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: C/C=C/1\[C@H]2C=C(C[C@]1(/N=C/c1ccc(cc1)C#N)c1c(C2)[nH]c(=O)cc1)C
InChi: 1S/C23H21N3O/c1-3-19-18-10-15(2)12-23(19,20-8-9-22(27)26-21(20)11-18)25-14-17-6-4-16(13-24)5-7-17/h3-10,14,18H,11-12H2,1-2H3,(H,26,27)/b19-3+,25-14+/t18-,23+/m0/s1
InChiKey: LPKDSVJIZOGWMR-FWVVDGPASA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Torpedo californica	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
Echinococcus granulosus	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
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
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	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
Loa Loa (eye worm)	hypothetical protein	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
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
Brugia malayi	Carboxylesterase family 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)	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	gliotactin	Acetylcholinesterase	586 aa	474 aa	31.6 %
Onchocerca volvulus		Acetylcholinesterase	586 aa	612 aa	25.5 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	586 aa	602 aa	24.4 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	586 aa	552 aa	37.7 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	586 aa	487 aa	23.0 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	586 aa	509 aa	24.8 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	586 aa	648 aa	32.6 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	586 aa	643 aa	32.2 %
Schistosoma japonicum	ko:K01050 cholinesterase [EC3.1.1.8], putative	Acetylcholinesterase	586 aa	577 aa	33.6 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	586 aa	592 aa	28.0 %
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %
Onchocerca volvulus		Acetylcholinesterase	586 aa	564 aa	29.4 %
Onchocerca volvulus		Acetylcholinesterase	586 aa	562 aa	25.1 %
Echinococcus granulosus	neuroligin	Acetylcholinesterase	586 aa	493 aa	21.5 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	586 aa	480 aa	24.6 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	586 aa	571 aa	25.0 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	586 aa	535 aa	31.4 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	586 aa	551 aa	40.7 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	586 aa	546 aa	29.3 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	586 aa	588 aa	28.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0035	0.0377	0.2216
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0019	0.0179	0.2803
Echinococcus multilocularis	dnaJ subfamily B	0.0472	0.5903	0.5901
Echinococcus multilocularis	cpg binding protein	0.0035	0.0382	0.0379
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0019	0.0179	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0019	0.0179	0.0176
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0005	0.0003	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.0797	1	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0019	0.0179	0.2803
Schistosoma mansoni	cpg binding protein	0.0033	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2118	0.8386
Toxoplasma gondii	NADPH-glutathione reductase	0.0019	0.0179	0.2404
Echinococcus multilocularis	neuroligin	0.0035	0.0377	0.0373
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0069	0.0066
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0179	0.2803
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0035	0.0377	0.0373
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0035	0.0843
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0035	0.0377	0.0377
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0019	0.0179	0.47
Echinococcus multilocularis	acetylcholinesterase	0.0205	0.2524	0.2522
Echinococcus granulosus	acetylcholinesterase	0.0205	0.2524	0.2522
Brugia malayi	hypothetical protein	0.0035	0.0377	0.1481
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0055	0.0629	0.3716
Mycobacterium tuberculosis	Probable oxidoreductase	0.0138	0.1688	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0125	0.1512	0.8958
Loa Loa (eye worm)	carboxylesterase	0.0205	0.2524	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0019	0.0179	0.2803
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0044	0.0041
Brugia malayi	Thioredoxin reductase	0.0055	0.0629	0.2483
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0035	0.0843
Onchocerca volvulus		0.0035	0.0377	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0035	0.0843
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0035	0.0843
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0359	0.1409
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0005	0.0003	0.5
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0014	0.0115	0.0444
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0179	1
Trichomonas vaginalis	glutathione reductase, putative	0.0019	0.0179	0.47
Brugia malayi	Muscleblind-like protein	0.0172	0.2118	0.8386
Echinococcus multilocularis	muscleblind protein 1	0.0172	0.2118	0.2115
Schistosoma mansoni	glutamate synthase	0.0005	0.0003	0.0003
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0069	0.0066
Brugia malayi	Carboxylesterase family protein	0.0035	0.0377	0.1481
Schistosoma mansoni	microtubule-associated protein tau	0.0797	1	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0035	0.0377	0.0373
Schistosoma mansoni	BC026374 protein (S09 family)	0.0035	0.0377	0.0377
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0019	0.0179	0.2803
Brugia malayi	Carboxylesterase family protein	0.0035	0.0377	0.1481
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0019	0.0179	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0377	0.1481
Trichomonas vaginalis	mercuric reductase, putative	0.0019	0.0179	0.47
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0035	0.0377	0.2216
Echinococcus granulosus	cpg binding protein	0.0035	0.0382	0.0379
Brugia malayi	Carboxylesterase family protein	0.0205	0.2524	1
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0005	0.0003	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0035	0.0843
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0044	0.0041
Plasmodium falciparum	glutathione reductase	0.0019	0.0179	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0377	0.1481
Echinococcus multilocularis	acetylcholinesterase	0.0205	0.2524	0.2522
Echinococcus multilocularis	carboxylesterase 5A	0.0205	0.2524	0.2522
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0377	0.1481
Brugia malayi	glutathione reductase	0.0055	0.0629	0.2483
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0179	0.2803
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0035	0.0843
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0125	0.1512	0.8958
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0377	0.0377
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0019	0.0179	0.2803
Onchocerca volvulus		0.0035	0.0377	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0179	0.2803
Plasmodium vivax	thioredoxin reductase, putative	0.0055	0.0629	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0019	0.0179	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0205	0.2524	1
Brugia malayi	Carboxylesterase family protein	0.0035	0.0377	0.1481
Trypanosoma cruzi	trypanothione reductase, putative	0.0055	0.0629	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0179	0.2803
Schistosoma mansoni	sulfide quinone reductase	0.0005	0.0003	0.0003
Echinococcus granulosus	dnaJ subfamily B	0.0472	0.5903	0.5901
Schistosoma mansoni	hypothetical protein	0.0005	0.0003	0.0003
Schistosoma mansoni	acetylcholinesterase	0.0035	0.0377	0.0377
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0125	0.1512	0.8958
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0035	0.0843
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0005	0.0003	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0125	0.1512	0.8958
Echinococcus granulosus	neuroligin	0.0035	0.0377	0.0373
Plasmodium falciparum	thioredoxin reductase	0.0019	0.0179	0.2803
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0377	0.1481
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0035	0.0843
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0035	0.0843
Entamoeba histolytica	disulphide oxidoreductase, putative	0.0005	0.0003	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0035	0.0843
Brugia malayi	Carboxylesterase family protein	0.0035	0.0377	0.1481
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0014	0.0115	0.0444
Echinococcus granulosus	acetylcholinesterase	0.0205	0.2524	0.2522
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0035	0.0377	0.2216
Schistosoma mansoni	glutamate synthase	0.0005	0.0003	0.0003
Plasmodium falciparum	glutathione reductase	0.0055	0.0629	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0035	0.0843
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0179	0.2803
Toxoplasma gondii	thioredoxin reductase	0.0055	0.0629	0.8577
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0019	0.0179	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0019	0.0179	0.2803
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0377	0.0377
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0019	0.0179	0.0176
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0019	0.0179	0.2404
Echinococcus granulosus	thioredoxin glutathione reductase	0.0055	0.0629	0.0626
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0205	0.2524	0.2524
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0019	0.0179	0.2803
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0125	0.1512	0.8958
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0035	0.0843
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0069	0.0262
Schistosoma mansoni	disulfide oxidoreductase	0.0005	0.0003	0.0003
Treponema pallidum	NADH oxidase	0.0019	0.0179	1
Onchocerca volvulus		0.0035	0.0377	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0035	0.0377	0.0373
Entamoeba histolytica	thioredoxin reductase, putative	0.0005	0.0003	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0035	0.0377	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2118	0.8386
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0019	0.0179	0.0696
Trichomonas vaginalis	spcc417.12 protein, putative	0.0035	0.0377	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0019	0.0179	0.2803
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0138	0.1688	1
Loa Loa (eye worm)	glutathione reductase	0.0055	0.0629	0.2483
Schistosoma mansoni	cpg binding protein	0.0035	0.0382	0.0382
Brugia malayi	Carboxylesterase family protein	0.0205	0.2524	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0055	0.0629	0.0626
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0019	0.0179	0.47
Mycobacterium tuberculosis	Probable reductase	0.0125	0.1512	0.8958
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0035	0.0843
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0019	0.0179	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0377	0.1481
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0138	0.1688	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0035	0.0377	0.0373
Schistosoma mansoni	glutamate synthase	0.0005	0.0003	0.0003
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0125	0.1512	0.8958
Echinococcus granulosus	muscleblind protein	0.0172	0.2118	0.2115
Trypanosoma cruzi	trypanothione reductase, putative	0.0019	0.0179	0.2803
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0063	0.0733	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0377	0.1481
Loa Loa (eye worm)	hypothetical protein	0.0205	0.2524	1
Entamoeba histolytica	pyridine nucleotide-disulfide oxidoreductase family protein	0.0005	0.0003	0.5
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0044	0.0041
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0044	0.0044
Schistosoma mansoni	hypothetical protein	0.0472	0.5903	0.5903
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0377	0.1481
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0377	0.1481
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0035	0.0843
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0035	0.0843
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0377	0.1481
Plasmodium vivax	glutathione reductase, putative	0.0055	0.0629	1
Trypanosoma brucei	trypanothione reductase	0.0055	0.0629	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0044	0.0041
Mycobacterium ulcerans	carboxylesterase, LipT	0.0035	0.0377	1
Echinococcus granulosus	BC026374 protein S09 family	0.0035	0.0377	0.0373
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0019	0.0179	0.2803
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0359	0.1409
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0035	0.0843
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.007	0.0828	0.0828
Loa Loa (eye worm)	acetylcholinesterase 1	0.0205	0.2524	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0035	0.0843
Onchocerca volvulus		0.0035	0.0377	1
Schistosoma mansoni	sulfide quinone reductase	0.0005	0.0003	0.0003
Onchocerca volvulus		0.0033	0.0359	0.9517
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0035	0.0377	0.0373
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0019	0.0179	0.1042
Echinococcus multilocularis	muscleblind protein	0.0172	0.2118	0.2115
Schistosoma mansoni	cpg binding protein	0.0035	0.0382	0.0382
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0019	0.0179	0.2803
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0138	0.1688	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0179	1
Schistosoma mansoni	gliotactin	0.0035	0.0377	0.0377
Onchocerca volvulus		0.0035	0.0377	1
Trichomonas vaginalis	helicase, putative	0.0008	0.0035	0.0843
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0179	0.2803
Plasmodium falciparum	thioredoxin reductase	0.0055	0.0629	1
Leishmania major	trypanothione reductase	0.0055	0.0629	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0377	0.0377
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0019	0.0179	0.0179
Echinococcus granulosus	carboxylesterase 5A	0.0205	0.2524	0.2522
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0019	0.0179	0.2803
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0019	0.0179	0.47
Loa Loa (eye worm)	thioredoxin reductase	0.0055	0.0629	0.2483
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0068	0.0256

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.0412 nM	Inhibition of Torpedo california AChE by Ellman's method	ChEMBL.	19726199
IC50 (binding)	= 22 nM	Inhibition of human AChE by Ellman's method	ChEMBL.	19726199
Inhibition (binding)	= 12.6 %	Inhibition of Torpedo california AChE at 7.81 pM by Ellman's method	ChEMBL.	19726199
Inhibition (binding)	= 26.04 %	Inhibition of Torpedo california AChE at 15.6 pM by Ellman's method	ChEMBL.	19726199
Inhibition (binding)	= 38.72 %	Inhibition of Torpedo california AChE at 31.3 pM by Ellman's method	ChEMBL.	19726199
Inhibition (binding)	= 79.36 %	Inhibition of Torpedo california AChE at 62.5 pM by Ellman's method	ChEMBL.	19726199
Inhibition (binding)	= 83.98 %	Inhibition of Torpedo california AChE at 0.1 mM by Ellman's method	ChEMBL.	19726199
Inhibition (binding)	= 86.045 %	Inhibition of Torpedo california AChE at 10 uM by Ellman's method	ChEMBL.	19726199
Inhibition (binding)	= 89.26 %	Inhibition of Torpedo california AChE at 0.125 nM by Ellman's method	ChEMBL.	19726199
Inhibition (binding)	= 99.295 %	Inhibition of Torpedo california AChE at 1 mM by Ellman's method	ChEMBL.	19726199

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: CHEMBL596236

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1093511