TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 373.444 | Formula: C24H23NO3
H donors: 0 H acceptors: 1 LogP: 4.9 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1ccccc1)CCCOc1ccc2c(c1)oc(=O)c1c2cccc1
InChi: 1S/C24H23NO3/c1-25(17-18-8-3-2-4-9-18)14-7-15-27-19-12-13-21-20-10-5-6-11-22(20)24(26)28-23(21)16-19/h2-6,8-13,16H,7,14-15,17H2,1H3
InChiKey: VWMVVTZSFRCBOF-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
Homo sapiens	butyrylcholinesterase	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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	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
Echinococcus multilocularis	carboxylesterase 5A	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
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
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	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	butyrylcholinesterase	602 aa	546 aa	30.2 %
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0025	0.0404	0.0404
Brugia malayi	Protein kinase domain containing protein	0.0015	0.0012	0.0012
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0143	0.0143
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0018	0.0143	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.0486
Trypanosoma brucei	DNA polymerase kappa, putative	0.0044	0.1113	0.3427
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0018	0.0143	0.0207
Entamoeba histolytica	hypothetical protein	0.0025	0.0404	0.0884
Entamoeba histolytica	hypothetical protein	0.0037	0.0834	0.2343
Echinococcus granulosus	geminin	0.0173	0.5988	1
Brugia malayi	hypothetical protein	0.0037	0.0834	0.0834
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0171	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Trichomonas vaginalis	DNA polymerase eta, putative	0.0081	0.2521	0.2412
Leishmania major	DNA polymerase eta, putative	0.0043	0.1064	0.3266
Trypanosoma brucei	DNA polymerase kappa, putative	0.0044	0.1113	0.3427
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.8591	0.8571
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0953	0.0821
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0171	0.0299
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.0143	0.0207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0404	0.0265
Schistosoma mansoni	DNA polymerase eta	0.008	0.2478	0.2478
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0143	0.0207
Echinococcus granulosus	chromobox protein 1	0.0071	0.2135	0.3566
Schistosoma mansoni	chromobox protein	0.0071	0.2135	0.2135
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0171	0.0028
Giardia lamblia	DINP protein human, muc B family	0.0061	0.1749	0.5539
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0061	0.1749	0.5539
Trypanosoma brucei	DNA polymerase IV, putative	0.0081	0.2521	0.8103
Brugia malayi	Bromodomain containing protein	0.003	0.0571	0.0571
Trypanosoma cruzi	DNA polymerase eta, putative	0.0043	0.1064	0.3266
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0555	0.0927
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0143	0.0239
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.125	0.1123
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0098	0.3132	0.523
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.3092	0.5164
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0491	0.2025
Schistosoma mansoni	acetylcholinesterase	0.0028	0.0491	0.0491
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0054	0.1494	0.149
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0075	0.2288	0.3822
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0054	0.1494	0.1494
Brugia malayi	ImpB/MucB/SamB family protein	0.008	0.2478	0.2478
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0571	0.9479
Schistosoma mansoni	hypothetical protein	0.007	0.208	0.208
Echinococcus granulosus	serine protein kinase ATM	0.0025	0.0404	0.0675
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.1067	0.0712
Trypanosoma brucei	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Trypanosoma brucei	DNA polymerase IV, putative	0.0075	0.2266	0.7257
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0143	0.0207
Brugia malayi	bZIP transcription factor family protein	0.0086	0.2687	0.2687
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0019	0.0145	0.0211
Trypanosoma brucei	polo-like protein kinase	0.0096	0.3092	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0043	0.1064	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.3092	0.321
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0028	0.0491	0.0819
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.125	0.1123
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0081	0.2521	0.2412
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0171	0.0286
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1211	0.1207
Echinococcus granulosus	jun protein	0.0086	0.2687	0.4488
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.2374	0.2374
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0024	0.0336	0.259
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1211	0.2023
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.5633	0.9408
Brugia malayi	Carboxylesterase family protein	0.0028	0.0491	0.0491
Trypanosoma brucei	DNA polymerase kappa, putative	0.0044	0.1108	0.341
Schistosoma mansoni	DNA polymerase IV / kappa	0.0017	0.0081	0.0081
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0834	0.1393
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1211	0.2023
Brugia malayi	Carboxylesterase family protein	0.0164	0.5633	0.5633
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5633	0.5631
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0143	0.0143
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Brugia malayi	hypothetical protein	0.0067	0.1991	0.1991
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0171	0.0171
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.3092	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0028	0.0491	0.0819
Trypanosoma brucei	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2599	0.2595
Echinococcus granulosus	acetylcholinesterase	0.0164	0.5633	0.9408
Schistosoma mansoni	glutaminase	0.0279	1	1
Brugia malayi	Carboxylesterase family protein	0.0028	0.0491	0.0491
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.1067	0.0938
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0025	0.0404	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.0486
Echinococcus granulosus	dna polymerase kappa	0.0081	0.2521	0.421
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0025	0.0404	0.0404
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0171	0.0091
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0171	0.0299
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0143	0.0207
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0171	0.0299
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1211	0.2023
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0571	0.0953
Mycobacterium ulcerans	DNA polymerase IV	0.0081	0.2521	0.246
Brugia malayi	ImpB/MucB/SamB family protein	0.0054	0.1494	0.1494
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3092	0.2992
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0018	0.0143	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5633	0.5631
Onchocerca volvulus		0.0242	0.8596	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0171	0.0094
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0598	0.0998
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0513	0.0375
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	0.5633	0.5631
Echinococcus multilocularis	dna polymerase kappa	0.0081	0.2521	0.421
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.2135	0.2021
Echinococcus granulosus	neuroligin	0.0028	0.0491	0.0819
Trypanosoma brucei	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Schistosoma mansoni	gliotactin	0.0028	0.0491	0.0491
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0086	0.2687	0.4488
Echinococcus granulosus	chromobox protein 1	0.0071	0.2135	0.3566
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0491	0.0491
Brugia malayi	jmjC domain containing protein	0.0098	0.3132	0.3132
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.0486
Echinococcus multilocularis	chromobox protein 1	0.0071	0.2135	0.3566
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0143	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3092	0.2992
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0028	0.0491	0.0819
Trypanosoma cruzi	DNA polymerase eta, putative	0.008	0.2478	0.7959
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0598	0.5252
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0025	0.0404	0.1073
Trypanosoma brucei	unspecified product	0.0037	0.0858	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1108	0.1103
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.1011	0.1689
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0807	0.0803
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0491	0.0491
Brugia malayi	hypothetical protein	0.0028	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.003	0.0571	0.0566
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.3092	0.5164
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0171	0.0028
Trypanosoma brucei	unspecified product	0.0037	0.0858	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1375	0.1371
Echinococcus multilocularis	neuroligin	0.0028	0.0491	0.0819
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0143	0.0139
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0171	0.0299
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0075	0.2288	0.3822
Trypanosoma brucei	unspecified product	0.0075	0.2266	0.7257
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.5633	0.9408
Loa Loa (eye worm)	hypothetical protein	0.004	0.0953	0.0949
Trypanosoma brucei	DNA polymerase kappa, putative	0.0044	0.1108	0.341
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0018	0.0143	0.0207
Echinococcus multilocularis	Ankyrin	0.0015	0.0005	0.0008
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0028	0.0491	0.2025
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0019	0.0145	0.0211
Schistosoma mansoni	hypothetical protein	0.003	0.0571	0.0571
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0061	0.1749	1
Trypanosoma brucei	DNA polymerase eta, putative	0.008	0.2478	0.7959
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0491	0.0486
Trichomonas vaginalis	glutaminase, putative	0.0279	1	1
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0491	0.0486
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.0143	0.0207
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0834	0.0834
Plasmodium falciparum	phd finger protein, putative	0.003	0.0571	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0491	0.0491
Plasmodium vivax	SET domain protein, putative	0.003	0.0598	1
Brugia malayi	Pre-SET motif family protein	0.0213	0.7481	0.7481
Brugia malayi	chromobox protein homolog 3	0.004	0.0953	0.0953
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0571	0.0571
Echinococcus granulosus	dna polymerase eta	0.008	0.2478	0.4138
Giardia lamblia	Kinase, PLK	0.0096	0.3092	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0834	0.2343
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0054	0.1494	0.2495
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0953	0.057
Entamoeba histolytica	hypothetical protein	0.0037	0.0834	0.2343
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0018	0.0143	0.0207
Brugia malayi	polk-prov protein	0.0044	0.1108	0.1108
Toxoplasma gondii	exonuclease III APE	0.0019	0.0171	0.0917
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0571	0.0566
Schistosoma mansoni	hypothetical protein	0.0173	0.5988	0.5988
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	0.5633	0.5633
Loa Loa (eye worm)	hypothetical protein	0.008	0.2478	0.2474
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0598	0.0598
Brugia malayi	Carboxylesterase family protein	0.0164	0.5633	0.5633
Loa Loa (eye worm)	carboxylesterase	0.0164	0.5633	0.5631
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0571	0.0953
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.0143	0.0207
Echinococcus multilocularis	serine protein kinase ATM	0.0025	0.0404	0.0675
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0807	0.1348
Mycobacterium ulcerans	carboxylesterase, LipT	0.0028	0.0491	0.0413
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0598	0.0598
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.2135	0.2021
Schistosoma mansoni	hypothetical protein	0.0173	0.5988	0.5988
Entamoeba histolytica	hypothetical protein	0.0037	0.0834	0.2343
Brugia malayi	Carboxylesterase family protein	0.0028	0.0491	0.0491
Onchocerca volvulus	Alhambra homolog	0.003	0.0571	0.0099
Echinococcus multilocularis	dna polymerase eta	0.008	0.2478	0.4138
Trypanosoma brucei	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Mycobacterium ulcerans	glutaminase	0.0279	1	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0143	0.0207
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0571	0.4979
Brugia malayi	PHD-finger family protein	0.003	0.0571	0.0571
Leishmania major	DNA polymerase kappa, putative	0.0061	0.1749	0.5539
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.1769	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0022	0.027	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.0486
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1211	0.1211
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0598	0.0598
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.3092	0.3092
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.3092	0.3089
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0571	0.4979
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0143	0.0239
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0028	0.0491	0.0352
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.1067	0.0938
Giardia lamblia	PHD finger protein 15	0.003	0.0571	0.1626
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.3092	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0028	0.0491	0.0819
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.0143	0.0633
Trypanosoma cruzi	target of rapamycin kinase 3	0.0018	0.0143	0.0207
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0054	0.1494	0.1494
Trypanosoma brucei	DNA polymerase IV, putative	0.0081	0.2521	0.8103
Brugia malayi	Heterochromatin protein 1	0.0071	0.2135	0.2135
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3092	0.2992
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.2135	0.2131
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.0486
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0171	0.1841
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3092	0.2992
Trypanosoma brucei	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0598	0.0998
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0807	0.0807
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0627	0.0623
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0171	0.1745
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0022	0.027	0.0627
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0953	0.0821
Echinococcus granulosus	carboxylesterase 5A	0.0164	0.5633	0.9408
Onchocerca volvulus		0.0031	0.0627	0.0168
Trypanosoma brucei	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0018	0.0143	0.0207
Echinococcus granulosus	Ankyrin	0.0015	0.0005	0.0008
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0171	0.0166
Giardia lamblia	GTOR	0.0018	0.0143	0.0207
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0834	0.1393
Onchocerca volvulus		0.0067	0.1991	0.1851
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0098	0.3132	0.523
Echinococcus multilocularis	jun protein	0.0086	0.2687	0.4488
Schistosoma mansoni	kinase	0.0049	0.1299	0.1299
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0143	0.0239
Loa Loa (eye worm)	hypothetical protein	0.003	0.0598	0.0593
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0018	0.0143	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.0486
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0143	0.0143
Trypanosoma brucei	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Brugia malayi	glutaminase DH11.1	0.0279	1	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0028	0.0491	0.0819
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0015	0.0005	0.0005
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.7481	0.748
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1211	0.1211
Trypanosoma brucei	DNA polymerase kappa, putative	0.0044	0.1113	0.3427
Mycobacterium ulcerans	DNA polymerase IV	0.0081	0.2521	0.246
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0143	0.0143
Toxoplasma gondii	FATC domain-containing protein	0.0025	0.0404	0.3285
Brugia malayi	jmjC domain containing protein	0.0036	0.0807	0.0807
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3092	0.2992
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0807	0.0807
Echinococcus multilocularis	chromobox protein 1	0.0071	0.2135	0.3566
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.3092	0.3092
Echinococcus granulosus	BC026374 protein S09 family	0.0028	0.0491	0.0819
Echinococcus multilocularis	peregrin	0.003	0.0571	0.0953
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0491	0.2025
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0086	0.2687	0.4488
Echinococcus multilocularis	geminin	0.0173	0.5988	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0598	0.0998
Schistosoma mansoni	ap endonuclease	0.0019	0.0171	0.0171
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0028	0.0491	0.0491
Brugia malayi	Carboxylesterase family protein	0.0028	0.0491	0.0491
Echinococcus granulosus	acetylcholinesterase	0.0164	0.5633	0.9408
Trichomonas vaginalis	spcc417.12 protein, putative	0.0028	0.0491	0.0352
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3092	0.2992
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0096	0.3092	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0807	0.1348
Trypanosoma brucei	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0513	0.0375
Schistosoma mansoni	hypothetical protein	0.0037	0.0834	0.0834
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0171	0.0286
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3092	0.2992
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.1011	0.1689
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0054	0.1494	0.2495
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0081	0.2521	0.8103
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0143	0.0239
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0054	0.1494	0.4581
Echinococcus granulosus	peregrin	0.003	0.0571	0.0953
Leishmania major	DNA polymerase eta, putative	0.008	0.2478	0.7959
Schistosoma mansoni	ap endonuclease	0.0019	0.0171	0.0171
Schistosoma mansoni	chromobox protein	0.0071	0.2135	0.2135
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.1749	0.5539
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0054	0.1494	0.8385
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0491	0.0486
Loa Loa (eye worm)	glutaminase	0.0279	1	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0171	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1211	0.1211
Schistosoma mansoni	BC026374 protein (S09 family)	0.0028	0.0491	0.0491
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1211	0.1211
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0042	0.1038	0.1038
Onchocerca volvulus		0.0042	0.1038	0.0675
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1211	0.2023
Echinococcus multilocularis	carboxylesterase 5A	0.0164	0.5633	0.9408
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0171	0.0299
Schistosoma mansoni	jun-related protein	0.007	0.208	0.208
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.3092	1
Brugia malayi	Pre-SET motif family protein	0.003	0.0598	0.0598

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8.5 uM	Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method	ChEMBL.	25189690
IC50 (binding)	= 14.9 uM	Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method	ChEMBL.	25189690

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: CHEMBL3335062

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 931443