TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 397.464 | Formula: C23H27NO5
H donors: 1 H acceptors: 2 LogP: 4.32 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cc(OCCCCOc2ccc3c(c2)oc(=O)c(c3C)C)cc(c1)N(C)C
InChi: 1S/C23H27NO5/c1-15-16(2)23(26)29-22-14-19(7-8-21(15)22)27-9-5-6-10-28-20-12-17(24(3)4)11-18(25)13-20/h7-8,11-14,25H,5-6,9-10H2,1-4H3
InChiKey: NUUDVYYCWRJWMB-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
Bos taurus	Acetylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	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
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
Loa Loa (eye worm)	hypothetical 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
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
Echinococcus granulosus	carboxylesterase 5A	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
Loa Loa (eye worm)	carboxylesterase	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
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
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	613 aa	569 aa	31.3 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	613 aa	491 aa	26.7 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	552 aa	31.3 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	613 aa	534 aa	23.2 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	613 aa	561 aa	24.6 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	613 aa	527 aa	32.3 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	565 aa	26.0 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	613 aa	601 aa	23.6 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	613 aa	511 aa	39.9 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	613 aa	572 aa	41.6 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	613 aa	573 aa	26.5 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	613 aa	564 aa	30.3 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	613 aa	627 aa	33.8 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	613 aa	26.8 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	613 aa	627 aa	34.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0166	0.2648
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0301	0.2451	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0422	0.1441
Trypanosoma cruzi	hypothetical protein, conserved	0.0188	0.1501	0.2743
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0378	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0422	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0351	0.2873	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0256	0.2077	0.6055
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0013	0.0015
Echinococcus granulosus	acetylcholinesterase	0.0351	0.2873	0.8375
Brugia malayi	steroid hormone receptor	0.0011	0.0013	0.0015
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0055	0.0385	0.0385
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0477	0.1742
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0055	0.0385	0.2566
Echinococcus granulosus	dnaJ subfamily B	0.0417	0.3431	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0188	0.1501	0.1501
Onchocerca volvulus		0.0029	0.017	0.0793
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0363	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1501	0.5208
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0693	0.2021
Schistosoma mansoni	peptidase Clp (S14 family)	0.0084	0.0628	0.1829
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0628	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0013	0.0037
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0013	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0011
Mycobacterium ulcerans	carboxylesterase, LipT	0.0059	0.0422	0.1542
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0422	0.1441
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0501	0.1459
Brugia malayi	Pre-SET motif family protein	0.0217	0.1745	0.6063
Mycobacterium ulcerans	lipase LipD	0.0188	0.1501	0.5485
Schistosoma mansoni	ap endonuclease	0.0018	0.0079	0.023
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0084	0.0628	0.1829
Echinococcus granulosus	cpg binding protein	0.0031	0.0184	0.0536
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0188	0.1501	0.4375
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0013	0.0015
Brugia malayi	nuclear hormone receptor	0.0011	0.0013	0.0015
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.049	0.1427
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0109	0.0839	0.1466
Mycobacterium tuberculosis	Probable lipase LipD	0.0188	0.1501	0.1501
Trypanosoma brucei	hypothetical protein, conserved	0.0188	0.1501	0.2743
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0013	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0256	0.2077	0.7221
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0013	0.0037
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0501	0.1459
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.049	0.0792
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.04	0.2257
Brugia malayi	Carboxylesterase family protein	0.0059	0.0422	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0422	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0011
Brugia malayi	Carboxylesterase family protein	0.0059	0.0422	0.1444
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0089	0.0675	0.1149
Onchocerca volvulus		0.0059	0.0422	0.2064
Brugia malayi	beta-lactamase	0.0188	0.1501	0.521
Schistosoma mansoni	acetylcholinesterase	0.0059	0.0422	0.123
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.049	0.1677
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0635	0.5264	1
Schistosoma mansoni	gliotactin	0.0059	0.0422	0.123
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0009	0.0028
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0013	0.0015
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0013	0.0015
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0175	0.0509
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0059	0.0422	0.0422
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0059	0.0422	0.123
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0196
Brugia malayi	hypothetical protein	0.0256	0.2077	0.7222
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0501	0.1459
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0059	0.0422	0.123
Mycobacterium ulcerans	hypothetical protein	0.0188	0.1501	0.5485
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0628	0.2294
Echinococcus granulosus	GPCR family 2	0.0017	0.0067	0.0196
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0013	0.0037
Echinococcus granulosus	neuroligin	0.0059	0.0422	0.123
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.049	0.0792
Onchocerca volvulus		0.0188	0.1501	0.7503
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0013	0.0037
Mycobacterium tuberculosis	Conserved protein	0.0188	0.1501	0.1501
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0628	1
Echinococcus granulosus	tar DNA binding protein	0.0069	0.0501	0.1459
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.049	0.1427
Onchocerca volvulus		0.0247	0.1996	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0013	0.0037
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0378	0.1289
Echinococcus multilocularis	acetylcholinesterase	0.0351	0.2873	0.8375
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.019	0.0778
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0079	0.0246
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0013	0.0037
Brugia malayi	Carboxylesterase family protein	0.0059	0.0422	0.1444
Brugia malayi	Probable ClpP-like protease	0.0084	0.0628	0.2161
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0013	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0011
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.049	0.0792
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.0477	0.1389
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0067	0.0196
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0013	0.0037
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0635	0.5264	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0501	0.1459
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0251	0.0733
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0067	0.0205
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0013	0.0037
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0079	0.023
Brugia malayi	Carboxylesterase family protein	0.0351	0.2873	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0013	0.0037
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0079	0.0243
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0013	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1501	0.5208
Schistosoma mansoni	hypothetical protein	0.0417	0.3431	1
Mycobacterium ulcerans	hypothetical protein	0.0335	0.2736	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.019	0.0553
Onchocerca volvulus		0.0059	0.0422	0.2064
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0188	0.1501	0.4375
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0011
Trichomonas vaginalis	spcc417.12 protein, putative	0.0059	0.0422	0.2114
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0456	0.1328
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0079	0.1257
Echinococcus granulosus	acetylcholinesterase	0.0351	0.2873	0.8375
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0628	0.5
Brugia malayi	hypothetical protein	0.0059	0.0422	0.1444
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0066	0.0477	0.1389
Onchocerca volvulus		0.0059	0.0422	0.2064
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.019	0.0553
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0013	0.0037
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.0693	0.2391
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0422	0.1441
Echinococcus granulosus	survival motor neuron protein 1	0.0256	0.2077	0.6055
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0013	0.0015
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.019	0.0553
Trichomonas vaginalis	D-aminoacylase, putative	0.0188	0.1501	0.7519
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.0501	0.1715
Mycobacterium ulcerans	esterase/lipase LipP	0.0188	0.1501	0.5485
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0013	0.0037
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.019	0.0553
Toxoplasma gondii	hypothetical protein	0.0102	0.0785	0.4965
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0067	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0422	0.1441
Toxoplasma gondii	ABC1 family protein	0.0188	0.1501	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.019	0.0553
Brugia malayi	Carboxylesterase family protein	0.0059	0.0422	0.1444
Loa Loa (eye worm)	acetylcholinesterase 1	0.0351	0.2873	1
Onchocerca volvulus		0.0188	0.1501	0.7503
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0693	0.2021
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0196
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0013	0.0037
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0089	0.0675	0.1149
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0188	0.1501	0.1501
Trichomonas vaginalis	D-aminoacylase, putative	0.0188	0.1501	0.7519
Leishmania major	mitochondrial DNA polymerase beta	0.0635	0.5264	1
Onchocerca volvulus		0.0032	0.019	0.0892
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0693	0.2021
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0013	0.0015
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0079	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0013	0.0011
Trichomonas vaginalis	set domain proteins, putative	0.0247	0.1996	1
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.0501	0.1718
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0013	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1501	0.5208
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0013	0.0011
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0067	0.0196
Schistosoma mansoni	BC026374 protein (S09 family)	0.0059	0.0422	0.123
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0066	0.0477	0.1389
Mycobacterium tuberculosis	Probable lipase LipE	0.0188	0.1501	0.1501
Loa Loa (eye worm)	carboxylesterase	0.0059	0.0422	0.1441
Brugia malayi	ecdysteroid receptor	0.0011	0.0013	0.0015
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0067	0.0202
Trypanosoma cruzi	hypothetical protein, conserved	0.0188	0.1501	0.2743
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0013	0.0037
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0059	0.0422	0.123
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0196
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0477	0.1742
Trichomonas vaginalis	penicillin-binding protein, putative	0.0188	0.1501	0.7519
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0089	0.0675	0.1149
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0013	0.0037
Schistosoma mansoni	cpg binding protein	0.0031	0.0184	0.0536
Trichomonas vaginalis	D-aminoacylase, putative	0.0188	0.1501	0.7519
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0059	0.0422	0.123
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.0628	0.3859
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.0693	0.2388
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0067	0.0202
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0363	0.1058
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0378	0.1289
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0301	0.2451	0.4575
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0013	0.0037
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0084	0.0628	0.3859
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0079	0.1257
Echinococcus granulosus	para nitrobenzyl esterase	0.0059	0.0422	0.123
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0013	0.0011
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0067	0.0196
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0693	0.2021
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0188	0.1501	0.4375
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.019	0.0553
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0067	0.0196
Onchocerca volvulus		0.0059	0.0422	0.2064
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0013	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0013	0.0015
Echinococcus granulosus	peptidase Clp S14 family	0.0055	0.0385	0.1123
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0055	0.0385	0.0385
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0217	0.1745	0.6061
Onchocerca volvulus		0.0052	0.0363	0.1766
Trichomonas vaginalis	penicillin-binding protein, putative	0.0188	0.1501	0.7519
Loa Loa (eye worm)	carboxylesterase	0.0059	0.0422	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0351	0.2873	1
Echinococcus multilocularis	dnaJ subfamily B	0.0417	0.3431	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0351	0.2873	0.8375
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0234	0.0787
Schistosoma mansoni	coup transcription factor	0.0011	0.0013	0.0037
Brugia malayi	Pre-SET motif family protein	0.0032	0.019	0.0632
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0013	0.0015
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0188	0.1501	0.5208
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.049	0.1427
Toxoplasma gondii	aldehyde dehydrogenase	0.0066	0.0477	0.2797
Echinococcus granulosus	beta LACTamase domain containing family member	0.0188	0.1501	0.4375
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0013	0.0037
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0059	0.0422	0.2114
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0013	0.0015
Echinococcus multilocularis	carboxylesterase 5A	0.0351	0.2873	0.8375
Loa Loa (eye worm)	beta-lactamase	0.0188	0.1501	0.5208
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0084	0.0628	0.4182
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0079	0.023
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0013	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0422	0.1441
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0188	0.1501	0.1501
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0693	0.2021
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0013	0.0015
Mycobacterium tuberculosis	Conserved protein	0.0188	0.1501	0.1501
Schistosoma mansoni	ap endonuclease	0.0018	0.0079	0.023
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0628	0.2159
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0011
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0013	0.0037
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0013	0.0037
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0079	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0378	0.1286
Echinococcus multilocularis	para nitrobenzyl esterase	0.0059	0.0422	0.123
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.0501	0.1715
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.049	0.0792
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0079	0.0395
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0066	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0032	0.019	0.0629
Brugia malayi	beta-lactamase family protein	0.0188	0.1501	0.521
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0013	0.0037
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0029	0.0166	0.1107
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0059	0.0422	0.123
Mycobacterium leprae	conserved hypothetical protein	0.0188	0.1501	1
Onchocerca volvulus		0.0059	0.0422	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0013	0.0015
Toxoplasma gondii	hypothetical protein	0.0029	0.0166	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1501	0.5208
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.0501	0.1459
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0084	0.0628	0.1829
Loa Loa (eye worm)	RNA binding protein	0.0069	0.0501	0.1715
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0011
Schistosoma mansoni	cpg binding protein	0.0029	0.017	0.0495
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0188	0.1501	0.5485
Plasmodium vivax	hypothetical protein, conserved	0.0188	0.1501	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0635	0.5264	1
Echinococcus multilocularis	cpg binding protein	0.0031	0.0184	0.0536
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0693	0.2021
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0234	0.0784
Mycobacterium tuberculosis	Probable hydrolase	0.0188	0.1501	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1501	0.5208
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0477	0.1742
Schistosoma mansoni	hypothetical protein	0.0037	0.0234	0.0682
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0059	0.0422	0.123
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0079	0.0288
Echinococcus multilocularis	acetylcholinesterase	0.0351	0.2873	0.8375
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0013	0.0011
Onchocerca volvulus		0.0188	0.1501	0.7503
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.017	0.056
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0301	0.2451	0.4575
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0166	0.1591
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0196
Echinococcus multilocularis	neuroligin	0.0059	0.0422	0.123
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0013	0.0015
Plasmodium vivax	SET domain protein, putative	0.0032	0.019	0.0778
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0013	0.0011
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0013	0.0037
Brugia malayi	RNA binding protein	0.0069	0.0501	0.1718
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0335	0.2736	0.2736
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0628	0.2294
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.049	0.168
Schistosoma mansoni	hypothetical protein	0.0052	0.0363	0.1058
Loa Loa (eye worm)	carboxylesterase	0.0351	0.2873	1
Mycobacterium ulcerans	beta-lactamase	0.0188	0.1501	0.5485
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0013	0.0037
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0188	0.1501	0.1501
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0013	0.0037
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0013	0.0037
Leishmania major	hypothetical protein, conserved	0.0188	0.1501	0.2743
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0628	0.5
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0166	0.0614
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0188	0.1501	0.521
Brugia malayi	beta-lactamase family protein	0.0188	0.1501	0.521
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0079	0.0395
Brugia malayi	CXXC zinc finger family protein	0.0029	0.017	0.0564
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0013	0.0037
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0013	0.0037
Mycobacterium leprae	Probable lipase LipE	0.0188	0.1501	1
Echinococcus granulosus	carboxylesterase 5A	0.0351	0.2873	0.8375
Brugia malayi	Carboxylesterase family protein	0.0351	0.2873	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0089	0.0675	0.1149
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0009	0.0028
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0059	0.0422	0.0422
Echinococcus granulosus	BC026374 protein S09 family	0.0059	0.0422	0.123
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0251	0.0733
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0013	0.0037
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0013	0.0015
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0059	0.0422	0.0422
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0013	0.0011
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0055	0.0385	0.1123
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0013	0.0037
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0066	0.0477	0.0767
Brugia malayi	TAR-binding protein	0.0069	0.0501	0.1718
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.0628	0.3859
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.019	0.0553
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.0477	0.1389
Schistosoma mansoni	cpg binding protein	0.0031	0.0184	0.0536
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0628	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0011
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0501	0.1459
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0067	0.0205
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0013	0.0015
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0693	0.2021
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.049	1
Mycobacterium tuberculosis	Conserved protein	0.0188	0.1501	0.1501
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0013	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1501	0.5208
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0059	0.0422	0.123
Trichomonas vaginalis	esterase, putative	0.0188	0.1501	0.7519

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 275 nM	Inhibition of bovine AChE by Ellman's method	ChEMBL.	18585045
Inhibition (binding)	= 25 %	Inhibition of equine BChE at 50 uM by Ellman's method	ChEMBL.	18585045

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

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

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External resources for this compound

ChEMBL: CHEMBL478608

Bibliographic References

No literature references available for this target.

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Detailed information for compound 978200