TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 296.41 | Formula: C18H24N4
H donors: 1 H acceptors: 2 LogP: 4.21 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCN(CC1)c1nccc(n1)NCCc1ccccc1
InChi: 1S/C18H24N4/c1-15-9-13-22(14-10-15)18-20-12-8-17(21-18)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)
InChiKey: JAXXPQUWOTTXGC-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
Equus caballus	Butyrylcholinesterase	Starlite/ChEMBL	References
Homo sapiens	acetylcholinesterase (Yt blood group)	Starlite/ChEMBL	References
Equus caballus	Cholinesterase	Starlite/ChEMBL	References
Electrophorus electricus	Acetylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	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
Loa Loa (eye worm)	carboxylesterase	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 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
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
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
Echinococcus granulosus	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
Echinococcus multilocularis	acetylcholinesterase	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	Putative nuclear protein	Butyrylcholinesterase	602 aa	573 aa	41.4 %
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	633 aa	549 aa	30.4 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	633 aa	507 aa	23.9 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	620 aa	28.4 %
Echinococcus granulosus	neuroligin	Butyrylcholinesterase	602 aa	492 aa	24.2 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	633 aa	690 aa	31.7 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	597 aa	25.1 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	517 aa	25.1 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	633 aa	690 aa	32.3 %
Brugia malayi	Carboxylesterase family protein	Cholinesterase	574 aa	538 aa	31.4 %
Schistosoma mansoni	gliotactin	Butyrylcholinesterase	602 aa	587 aa	28.1 %
Onchocerca volvulus		Acetylcholinesterase	633 aa	648 aa	25.3 %
Schistosoma japonicum	ko:K01050 cholinesterase [EC3.1.1.8], putative	Cholinesterase	574 aa	577 aa	36.9 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	633 aa	622 aa	24.9 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	576 aa	23.4 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	633 aa	576 aa	28.8 %
Onchocerca volvulus		Butyrylcholinesterase	602 aa	551 aa	30.1 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Butyrylcholinesterase	602 aa	554 aa	35.9 %
Onchocerca volvulus	Galectin homolog	Cholinesterase	574 aa	531 aa	39.7 %
Onchocerca volvulus		Butyrylcholinesterase	602 aa	578 aa	25.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	latrophilin 2 splice variant baaae	0.0103	0.1913	0.2027
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0865	0.0917
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0299	0.0317
Brugia malayi	hypothetical protein	0.0446	0.9438	1
Plasmodium falciparum	esterase, putative	0.0017	0.0009	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0212	0.0225
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0189	0.3801	0.3801
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0055	0.0862	0.0998
Echinococcus granulosus	neuropeptide receptor A26	0.0471	1	1
Mycobacterium ulcerans	amidase	0.0049	0.0731	0.1247
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.1272	0.1473
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0299	0.0317
Brugia malayi	intermediate filament protein	0.0055	0.0865	0.0917
Trypanosoma cruzi	amidase, putative	0.0049	0.0731	0.126
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.028	0.5798	1
Plasmodium falciparum	esterase, putative	0.028	0.5798	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0695	0.0737
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0049	0.0731	0.0731
Schistosoma mansoni	intermediate filament proteins	0.0055	0.0865	0.1002
Toxoplasma gondii	protein c14orf29, putative	0.0017	0.0009	0.0088
Trichomonas vaginalis	spcc417.12 protein, putative	0.0055	0.0862	0.1473
Leishmania major	hypothetical protein, conserved	0.0049	0.0731	0.126
Toxoplasma gondii	phospholipase	0.0017	0.0009	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0862	0.0913
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0049	0.0731	0.0731
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0049	0.0731	0.126
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0657	0.0657
Brugia malayi	mbt repeat family protein	0.0048	0.0701	0.0742
Mycobacterium ulcerans	amidase	0.0049	0.0731	0.1247
Schistosoma mansoni	BC026374 protein (S09 family)	0.0055	0.0862	0.0998
Plasmodium falciparum	lysophospholipase, putative	0.0017	0.0009	0.0015
Plasmodium falciparum	lysophospholipase, putative	0.028	0.5798	1
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.028	0.5798	1
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0017	0.0009	0.0009
Plasmodium vivax	PST-A protein	0.0017	0.0009	0.0015
Loa Loa (eye worm)	amidase	0.0049	0.0731	0.0774
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0657	0.0761
Toxoplasma gondii	hypothetical protein	0.0017	0.0009	0.0088
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0017	0.0009	0.0015
Leishmania major	Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X	0.0017	0.0009	0.0015
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0049	0.0731	0.0846
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0055	0.0862	0.0862
Brugia malayi	amidase	0.0409	0.8636	0.9151
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0009	0.0015
Giardia lamblia	Cgi67 serine protease precursor-like protein	0.0017	0.0009	0.5
Mycobacterium ulcerans	peptide amidase, GatA	0.0049	0.0731	0.1247
Onchocerca volvulus		0.0055	0.0862	0.0184
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0055	0.0862	0.1486
Mycobacterium ulcerans	carboxylesterase, LipT	0.0055	0.0862	0.1473
Echinococcus multilocularis	neuroligin	0.0055	0.0862	0.0862
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1006	0.1165
Toxoplasma gondii	phospholipase/carboxylesterase	0.0017	0.0009	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0009
Echinococcus multilocularis	neuropeptide receptor A26	0.0471	1	1
Entamoeba histolytica	hypothetical protein	0.0074	0.1272	0.2182
Plasmodium vivax	alpha/beta hydrolase, putative	0.0017	0.0009	0.0015
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.1006	0.1735
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0009
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0049	0.0731	0.126
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0017	0.0009	0.0015
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.028	0.5798	1
Mycobacterium tuberculosis	Possible lysophospholipase	0.028	0.5798	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0657	0.0761
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0009	0.0015
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0847	0.0847
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0847	0.0897
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0009	0.0015
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0049	0.0731	0.126
Onchocerca volvulus		0.0055	0.0862	0.0184
Plasmodium falciparum	lysophospholipase, putative	0.028	0.5798	1
Loa Loa (eye worm)	amidase	0.0049	0.0731	0.0774
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0055	0.0862	0.1486
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0009	0.0015
Schistosoma mansoni	hypothetical protein	0.0048	0.0695	0.0805
Echinococcus multilocularis	lamin dm0	0.0055	0.0865	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0184	0.3688	0.3908
Schistosoma mansoni	hypothetical protein	0.0171	0.3392	0.3928
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0657	0.0657
Plasmodium falciparum	esterase, putative	0.0017	0.0009	0.0015
Brugia malayi	Carboxylesterase family protein	0.0055	0.0862	0.0913
Toxoplasma gondii	hypothetical protein	0.0017	0.0009	0.0088
Echinococcus granulosus	acetylcholinesterase	0.0327	0.6839	0.6839
Onchocerca volvulus		0.0055	0.0865	0.0188
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0151	0.2962	0.3139
Brugia malayi	Carboxylesterase family protein	0.0055	0.0862	0.0913
Loa Loa (eye worm)	carboxylesterase	0.0327	0.6839	0.7247
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.0701	0.0701
Echinococcus multilocularis	musashi	0.0055	0.0865	0.0865
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0017	0.0009	0.0009
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0017	0.0009	0.0015
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.0865	0.0917
Brugia malayi	Amidase family protein	0.0049	0.0731	0.0774
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0657	0.0657
Brugia malayi	putative amidase	0.0049	0.0731	0.0774
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0055	0.0862	0.1473
Plasmodium vivax	lysophospholipase, putative	0.0017	0.0009	0.0015
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0017	0.0009	0.0009
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0695	0.0695
Trichomonas vaginalis	conserved hypothetical protein	0.028	0.5798	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.1272	0.1272
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0049	0.0731	0.126
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0055	0.0862	0.0998
Echinococcus granulosus	Phospholipase carboxylesterase	0.0017	0.0009	0.0009
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.028	0.5798	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0695	0.0695
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0847	0.0847
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0862	0.0913
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.0701	0.0701
Brugia malayi	hypothetical protein	0.0055	0.0862	0.0913
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0843	0.0893
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1006	0.1165
Mycobacterium ulcerans	hypothetical protein	0.028	0.5798	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0009
Plasmodium falciparum	exported lipase 1	0.0017	0.0009	0.0015
Echinococcus multilocularis	geminin	0.0171	0.3392	0.3392
Echinococcus granulosus	lamin	0.0055	0.0865	0.0865
Toxoplasma gondii	hypothetical protein	0.0017	0.0009	0.0088
Trypanosoma brucei	Serine peptidase, Clan SC, Family S09X	0.0017	0.0009	0.0015
Plasmodium falciparum	epoxide hydrolase 2	0.0017	0.0009	0.0015
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.0865	0.0917
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0862	0.0913
Echinococcus granulosus	abhydrolase domain containing 3	0.0017	0.0009	0.0009
Plasmodium vivax	lysophospholipase, putative	0.0017	0.0009	0.0015
Leishmania major	hypothetical protein, conserved	0.0017	0.0009	0.0015
Plasmodium vivax	PST-A protein	0.0017	0.0009	0.0015
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1006	0.1722
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0695	0.0737
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0049	0.0731	0.5
Echinococcus multilocularis	Protein lozenge	0.0056	0.0874	0.0874
Onchocerca volvulus		0.0055	0.0865	0.0188
Loa Loa (eye worm)	MBCTL1	0.0055	0.0847	0.0897
Loa Loa (eye worm)	carboxylesterase	0.0055	0.0862	0.0913
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0055	0.0862	0.0998
Plasmodium vivax	unspecified product	0.0017	0.0009	0.0015
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0017	0.0009	0.001
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0055	0.0862	0.1486
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0017	0.0009	0.0088
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0189	0.3801	0.3801
Trypanosoma brucei	monoglyceride lipase, putative	0.028	0.5798	1
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.028	0.5798	1
Entamoeba histolytica	hypothetical protein	0.0074	0.1272	0.2182
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0657	0.0761
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0009	0.0015
Echinococcus multilocularis	acetylcholinesterase	0.0327	0.6839	0.6839
Plasmodium falciparum	prodrug activation and resistance esterase	0.0017	0.0009	0.0015
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.028	0.5798	1
Plasmodium vivax	alpha/beta hydrolase, putative	0.0017	0.0009	0.0015
Onchocerca volvulus		0.0055	0.0862	0.0184
Schistosoma mansoni	fatty-acid amide hydrolase	0.0409	0.8636	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.0701	0.0701
Onchocerca volvulus		0.0055	0.0862	0.0184
Loa Loa (eye worm)	runx1	0.0056	0.0874	0.0927
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0017	0.0009	0.0015
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0055	0.0862	0.0998
Mycobacterium ulcerans	amidase	0.0049	0.0731	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0151	0.2962	0.3139
Plasmodium falciparum	lysophospholipase, putative	0.0017	0.0009	0.0015
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0409	0.8636	0.8636
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.0865	0.0917
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.1006	0.1006
Echinococcus granulosus	intermediate filament protein	0.0055	0.0865	0.0865
Echinococcus multilocularis	neuropeptide s receptor	0.0471	1	1
Schistosoma mansoni	hypothetical protein	0.0074	0.1272	0.1473
Entamoeba histolytica	hypothetical protein	0.0074	0.1272	0.2182
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0009
Toxoplasma gondii	peptidase S15, putative	0.0017	0.0009	0.0088
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0049	0.0731	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0862	0.0913
Schistosoma mansoni	lamin	0.0055	0.0865	0.1002
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0657	0.0697
Leishmania major	hypothetical protein, conserved	0.0017	0.0009	0.0015
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0017	0.0009	0.001
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.028	0.5798	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0862	0.0913
Schistosoma mansoni	hypothetical protein	0.0048	0.0695	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0446	0.9438	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1006	0.1722
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0049	0.0731	0.1247
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.1006	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0184	0.3688	0.3419
Schistosoma mansoni	amidase	0.0409	0.8636	1
Trypanosoma cruzi	monoglyceride lipase, putative	0.028	0.5798	1
Plasmodium falciparum	alpha/beta-hydrolase, putative	0.0017	0.0009	0.0015
Echinococcus granulosus	acetylcholinesterase	0.0327	0.6839	0.6839
Brugia malayi	Protein C20orf22	0.0017	0.0009	0.0009
Echinococcus multilocularis	abhydrolase domain containing 3	0.0017	0.0009	0.0009
Plasmodium vivax	PST-A protein	0.0017	0.0009	0.0015
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.028	0.5798	1
Brugia malayi	Carboxylesterase family protein	0.0327	0.6839	0.7247
Loa Loa (eye worm)	hypothetical protein	0.0409	0.8636	0.9151
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0017	0.0009	0.0015
Echinococcus multilocularis	carboxylesterase 5A	0.0327	0.6839	0.6839
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0049	0.0731	0.0731
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0695	0.0695
Schistosoma mansoni	acetylcholinesterase	0.0055	0.0862	0.0998
Trypanosoma brucei	monoglyceride lipase, putative	0.028	0.5798	1
Echinococcus granulosus	geminin	0.0171	0.3392	0.3392
Trypanosoma cruzi	amidase, putative	0.0049	0.0731	0.126
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.1006	0.1006
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0234	0.0234
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0017	0.0009	0.0088
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0049	0.0731	0.126
Schistosoma mansoni	peptidase	0.0017	0.0009	0.001
Echinococcus granulosus	neuroligin	0.0055	0.0862	0.0862
Brugia malayi	Carboxylesterase family protein	0.0327	0.6839	0.7247
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0695	0.0737
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.0017	0.0009	0.0088
Plasmodium falciparum	lysophospholipase, putative	0.028	0.5798	1
Trichomonas vaginalis	conserved hypothetical protein	0.028	0.5798	1
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0017	0.0009	0.0015
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.1006	0.1735
Echinococcus granulosus	carboxylesterase 5A	0.0327	0.6839	0.6839
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0017	0.0009	0.0015
Plasmodium vivax	PST-A protein	0.0017	0.0009	0.0015
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0847	0.0847
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.1272	0.1272
Leishmania major	monoglyceride lipase, putative	0.028	0.5798	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0055	0.0862	0.0862
Echinococcus granulosus	GPCR family 2	0.0048	0.0695	0.0695
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0151	0.2962	0.3139
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0701	0.0742
Plasmodium vivax	PST-A protein	0.028	0.5798	1
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0049	0.0731	0.126
Onchocerca volvulus		0.0446	0.9438	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0847	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0701	0.0742
Plasmodium falciparum	exported lipase 2	0.0017	0.0009	0.0015
Plasmodium vivax	lysophospholipase, putative	0.0017	0.0009	0.0015
Brugia malayi	mbt repeat family protein	0.0048	0.0701	0.0742
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0234	0.0234
Trypanosoma cruzi	serine peptidase, putative	0.0017	0.0009	0.0015
Plasmodium falciparum	alpha/beta hydrolase fold domain containing protein, putative	0.0017	0.0009	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0695	0.0737
Plasmodium vivax	PST-A protein	0.0017	0.0009	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0327	0.6839	0.7247
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1006	0.1722
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0234	0.0248
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0049	0.0731	0.126
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1913	0.2027
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0212	0.0225
Mycobacterium ulcerans	amidase	0.0049	0.0731	0.1247
Schistosoma mansoni	hypothetical protein	0.0171	0.3392	0.3928
Brugia malayi	Amidase family protein	0.0049	0.0731	0.0774
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0695	0.0695
Mycobacterium ulcerans	amidase	0.0049	0.0731	0.1247
Trypanosoma cruzi	serine peptidase, putative	0.0017	0.0009	0.0015
Mycobacterium ulcerans	lysophospholipase	0.028	0.5798	1
Plasmodium falciparum	BEM46-like protein, putative	0.0017	0.0009	0.0015
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0657	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0446	0.9438	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0409	0.8636	0.8636
Brugia malayi	N-terminal motif family protein	0.0184	0.3688	0.3908
Entamoeba histolytica	hypothetical protein	0.0074	0.1272	0.2182
Schistosoma mansoni	lozenge	0.0056	0.0874	0.1013
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0862	0.0913
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0009	0.0015
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0409	0.8636	0.8636
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0017	0.0009	0.0009
Loa Loa (eye worm)	acetylcholinesterase 1	0.0327	0.6839	0.7247
Plasmodium vivax	unspecified product	0.0017	0.0009	0.0015
Onchocerca volvulus		0.0055	0.0862	0.0184
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0049	0.0731	0.126
Schistosoma mansoni	hypothetical protein	0.0103	0.1913	0.2215
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.028	0.5798	1
Brugia malayi	Carboxylesterase family protein	0.0055	0.0862	0.0913
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0055	0.0862	0.0862
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0847	0.098
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0657	0.0657
Echinococcus granulosus	BC026374 protein S09 family	0.0055	0.0862	0.0862
Schistosoma mansoni	hypothetical protein	0.0048	0.0695	0.0805
Schistosoma mansoni	fatty-acid amide hydrolase	0.0049	0.0731	0.0846
Brugia malayi	MGC83647 protein	0.0017	0.0009	0.0009
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0847	0.0847
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0409	0.8636	0.8636
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0695	0.0695
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0049	0.0731	0.5
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0701	0.0811
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0049	0.0731	0.0731
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0055	0.0862	0.0862
Brugia malayi	MGC79044 protein	0.0017	0.0009	0.0009
Schistosoma mansoni	lamin	0.0055	0.0865	0.1002
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0862	0.0913
Brugia malayi	Carboxylesterase family protein	0.0055	0.0862	0.0913
Echinococcus granulosus	lamin dm0	0.0055	0.0865	0.0865
Schistosoma mansoni	gliotactin	0.0055	0.0862	0.0998
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0701	0.0811
Echinococcus multilocularis	acetylcholinesterase	0.0327	0.6839	0.6839
Toxoplasma gondii	hypothetical protein	0.0017	0.0009	0.0088
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0701	0.0811
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0009	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0009
Schistosoma mansoni	hypothetical protein	0.0292	0.6056	0.7013
Echinococcus granulosus	para nitrobenzyl esterase	0.0055	0.0862	0.0862
Brugia malayi	hypothetical protein	0.0074	0.1272	0.1348
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0327	0.6839	0.7919
Schistosoma mansoni	hypothetical protein	0.0048	0.0695	0.0805
Loa Loa (eye worm)	carboxylesterase	0.0055	0.0862	0.0913
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0009	0.0015
Echinococcus multilocularis	lamin	0.0055	0.0865	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0327	0.6839	0.7247
Trypanosoma cruzi	Serine peptidase, Clan SC, Family S09X, putative	0.0017	0.0009	0.0015
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.0701	0.0701
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0151	0.2962	0.3139

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.9 uM	Inhibition of electric eel AChE	ChEMBL.	20472431
IC50 (binding)	= 8.8 uM	Inhibition of human AChE incubated with compounf for 5 mins before addition of substrate acetylthiocholine iodide by Ellman's method	ChEMBL.	21429752
IC50 (binding)	= 17.7 uM	Inhibition of equine serum BuChE	ChEMBL.	20472431
IC50 (binding)	= 17.7 uM	Inhibition of equine BChE incubated with compounf for 5 mins before addition of substrate S-butyrylthiocholine iodide by Ellman's method	ChEMBL.	21429752

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: CHEMBL1082981

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1110483