TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 559.567 | Formula: C30H29N3O8
H donors: 1 H acceptors: 4 LogP: 3.3 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(ccc1OC)C1CN(C2(C31Cc1c(C3=O)cc(c(c1)OC)OC)C(=O)Nc1c2cc(cc1)[N+](=O)[O-])C
InChi: 1S/C30H29N3O8/c1-32-15-21(16-6-9-23(38-2)24(10-16)39-3)29(14-17-11-25(40-4)26(41-5)13-19(17)27(29)34)30(32)20-12-18(33(36)37)7-8-22(20)31-28(30)35/h6-13,21H,14-15H2,1-5H3,(H,31,35)
InChiKey: QYUROEYAFJQVKH-UHFFFAOYSA-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
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
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
Echinococcus granulosus	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
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
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
Schistosoma japonicum	Acetylcholinesterase 1 precursor, 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 granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	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 (Yt blood group)	614 aa	510 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0214	0.0214
Entamoeba histolytica	hypothetical protein	0.0076	0.2498	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0733	0.0733
Loa Loa (eye worm)	ets-domain-containing protein	0.001	0.0083	0.0083
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0012	0.013	0.013
Brugia malayi	Ets-domain containing protein	0.001	0.0083	0.0083
Schistosoma mansoni	synaptojanin	0.0012	0.013	0.013
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0998	0.0998
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0012	0.013	0.013
Loa Loa (eye worm)	RNA binding protein	0.0061	0.1946	0.1946
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0998	0.0998
Echinococcus multilocularis	ets variant gene 4	0.001	0.0083	0.0308
Echinococcus granulosus	ETS transcription factor Elf 5	0.001	0.0083	0.0308
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0998	0.5333
Schistosoma mansoni	hypothetical protein	0.0076	0.2498	0.2498
Leishmania major	pantothenate kinase subunit, putative	0.0012	0.013	0.0228
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0057	0.1793	1
Schistosoma mansoni	elf1	0.001	0.0083	0.0083
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0057	0.1793	0.6639
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0022	0.0022
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0012	0.013	0.0228
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0012	0.013	0.0239
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1416	0.1416
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.001	0.0083	0.0083
Schistosoma mansoni	polyomavirus enhancer activator 3 pea3	0.001	0.0083	0.0083
Echinococcus multilocularis	inositol polyphosphate 5 phosphatase OCRL 1	0.0012	0.013	0.048
Loa Loa (eye worm)	cytochrome P450 family protein	0.001	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0998	0.0998
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0998	0.1157
Brugia malayi	Carboxylesterase family protein	0.0014	0.0214	0.0214
Trypanosoma brucei	Endonuclease/Exonuclease/phosphatase family, putative	0.0012	0.013	0.0239
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0998	0.088
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0998	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.1873	1
Echinococcus granulosus	BC026374 protein S09 family	0.0014	0.0214	0.0794
Schistosoma mansoni	gliotactin	0.0014	0.0214	0.0214
Onchocerca volvulus		0.0028	0.0733	0.1528
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0071	0.229	0.229
Loa Loa (eye worm)	hypothetical protein	0.0119	0.4076	0.4076
Brugia malayi	Carboxylesterase family protein	0.0014	0.0214	0.0214
Loa Loa (eye worm)	glutaminase 2	0.0282	1	1
Echinococcus granulosus	acetylcholinesterase	0.0082	0.2701	1
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0012	0.013	0.0239
Loa Loa (eye worm)	hypothetical protein	0.001	0.0083	0.0083
Echinococcus granulosus	neutral sphingomyelinase	0.0012	0.013	0.048
Loa Loa (eye worm)	hypothetical protein	0.006	0.1916	0.1916
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0998	0.088
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0998	0.1157
Brugia malayi	Ets-domain containing protein	0.0071	0.229	0.229
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0658	0.3175
Loa Loa (eye worm)	hypothetical protein	0.0012	0.013	0.013
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.3983	0.3983
Echinococcus granulosus	CCR4 NOT transcription complex subunit 6	0.0012	0.013	0.048
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1946	0.1946
Leishmania major	hypothetical protein, conserved	0.0035	0.0998	0.5093
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.1873	0.1801
Trypanosoma brucei	Endonuclease/Exonuclease/phosphatase family, putative	0.0012	0.013	0.0239
Echinococcus granulosus	ETS transcription factor Elf 2	0.001	0.0083	0.0308
Schistosoma mansoni	cpg binding protein	0.0028	0.0733	0.0733
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0014	0.0214	0.0214
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.2701	1
Echinococcus multilocularis	ewsr:fli fusion protein type	0.001	0.0083	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0998	0.0998
Mycobacterium tuberculosis	Probable exported protein	0.0012	0.013	0.0052
Echinococcus granulosus	ETS domain containing protein Elk 1	0.001	0.0083	0.0308
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0998	0.0917
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1946	0.1946
Trypanosoma cruzi	mitochondrial protein 99, putative	0.0012	0.013	0.0239
Echinococcus multilocularis	deoxyribonuclease 1 2	0.0012	0.013	0.048
Toxoplasma gondii	exonuclease III APE	0.0057	0.1793	0.955
Trypanosoma cruzi	mitochondrial protein 99, putative	0.0012	0.013	0.0239
Trypanosoma brucei	RNA editing exonuclease 2	0.0012	0.013	0.0239
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0134	0.0498
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0658	0.3188
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0214	0.0214
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0014	0.0214	0.0086
Entamoeba histolytica	hypothetical protein	0.0076	0.2498	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1416	0.5241
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0012	0.013	0.013
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0998	0.1157
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0134	0.0498
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1416	0.1416
Brugia malayi	transcription factor E74 isoform	0.001	0.0083	0.0083
Brugia malayi	beta-lactamase family protein	0.0035	0.0998	0.0998
Trypanosoma cruzi	inositol 5-phosphatase 1, putative	0.0012	0.013	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0998	0.0998
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0057	0.1793	1
Schistosoma mansoni	synaptojanin	0.0012	0.013	0.013
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0057	0.1793	0.1793
Brugia malayi	CCR4	0.0012	0.013	0.013
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0998	0.088
Onchocerca volvulus		0.0014	0.0214	0.0215
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1946	0.1946
Echinococcus granulosus	tar DNA binding protein	0.0061	0.1946	0.7204
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0012	0.013	0.013
Echinococcus multilocularis	GA binding protein alpha chain	0.0071	0.229	0.8481
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.1873	0.1873
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0057	0.1793	0.217
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1416	0.1416
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0012	0.013	0.013
Trypanosoma brucei	DNA-(apurinic or apyrimidinic site) lyase, putative	0.0012	0.013	0.0239
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0012	0.013	0.0228
Schistosoma mansoni	carbon catabolite repressor protein	0.0012	0.013	0.013
Brugia malayi	Ets-domain containing protein	0.0071	0.229	0.229
Loa Loa (eye worm)	hypothetical protein	0.0119	0.4076	0.4076
Loa Loa (eye worm)	DNA-binding protein D-ETS-3	0.001	0.0083	0.0083
Echinococcus multilocularis	cpg binding protein	0.003	0.0791	0.2929
Schistosoma mansoni	cpg binding protein	0.003	0.0791	0.0791
Schistosoma mansoni	ets-related	0.0214	0.7547	0.7547
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.1455	0.1455
Echinococcus multilocularis	ETS transcription factor Elf 2	0.001	0.0083	0.0308
Schistosoma mansoni	acetylcholinesterase	0.0014	0.0214	0.0214
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0012	0.013	0.013
Echinococcus granulosus	ewsr:fli fusion protein type	0.001	0.0083	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0214	0.0214
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0012	0.013	0.013
Mycobacterium ulcerans	carboxylesterase, LipT	0.0014	0.0214	0.0127
Trichomonas vaginalis	esterase, putative	0.0035	0.0998	0.088
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2701	0.2701
Loa Loa (eye worm)	CCR4-NOT transcription complex subunit 6 family protein	0.0012	0.013	0.013
Echinococcus multilocularis	protein C ets 2	0.001	0.0083	0.0308
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0012	0.013	0.013
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0012	0.013	0.0239
Echinococcus granulosus	cpg binding protein	0.003	0.0791	0.2929
Schistosoma mansoni	nocturnin	0.0012	0.013	0.013
Echinococcus granulosus	ETS transcription factor Elf 1	0.001	0.0083	0.0308
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0012	0.013	0.013
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0998	0.1157
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0998	0.1157
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0012	0.013	0.0228
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.2701	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0998	0.088
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0214	0.0214
Brugia malayi	hypothetical protein	0.0119	0.4076	0.4076
Echinococcus multilocularis		0.001	0.0089	0.0329
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.1873	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.2498	0.9248
Schistosoma mansoni	ets	0.001	0.0083	0.0083
Schistosoma mansoni	cytochrome P450	0.001	0.0089	0.0089
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.1946	0.7204
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0012	0.013	0.0239
Loa Loa (eye worm)	glutaminase	0.0282	1	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0057	0.1793	0.7025
Echinococcus granulosus	neuroligin	0.0014	0.0214	0.0794
Schistosoma mansoni	BC026374 protein (S09 family)	0.0014	0.0214	0.0214
Toxoplasma gondii	ABC1 family protein	0.0035	0.0998	0.5093
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0214	0.0214
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.1873	0.1801
Brugia malayi	RNA binding protein	0.0061	0.1946	0.1946
Brugia malayi	MH2 domain containing protein	0.0117	0.3983	0.3983
Leishmania major	hypothetical protein, conserved	0.0012	0.013	0.0228
Schistosoma mansoni	ap endonuclease	0.0057	0.1793	0.1793
Echinococcus granulosus	ETS transcription factor Elf 2	0.001	0.0083	0.0308
Entamoeba histolytica	hypothetical protein	0.0076	0.2498	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0998	0.0917
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0998	0.0998
Onchocerca volvulus		0.0035	0.0998	0.22
Echinococcus granulosus	para nitrobenzyl esterase	0.0014	0.0214	0.0794
Loa Loa (eye worm)	carboxylesterase	0.0082	0.2701	0.2701
Echinococcus multilocularis	ETS transcription factor Elf 1	0.001	0.0083	0.0308
Echinococcus multilocularis	synaptojanin 1	0.0012	0.013	0.048
Leishmania major	RNA-editing complex protein MP100, putative	0.0012	0.013	0.0228
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0026	0.0095
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0012	0.013	0.0228
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0012	0.013	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0998	0.0998
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0214	0.0214
Echinococcus multilocularis	ETS domain containing protein Elk 1	0.001	0.0083	0.0308
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0998	0.0917
Trypanosoma brucei	Inositol phosphosphingolipids phospholipase C	0.0012	0.013	0.0239
Schistosoma mansoni	ocrl type II inositol 5-phosphatase	0.0012	0.013	0.013
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0998	0.0998
Schistosoma mansoni	glutaminase	0.0282	1	1
Trypanosoma cruzi	endonuclease/exonuclease/phosphatase, putative	0.0012	0.013	0.0239
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0214	0.0214
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0998	0.1157
Trypanosoma brucei	inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative	0.0012	0.013	0.0239
Loa Loa (eye worm)	cytochrome P450	0.001	0.0089	0.0089
Brugia malayi	cytochrome P450	0.001	0.0089	0.0089
Trypanosoma brucei	inositol/phosphatidylinositol phosphatase, putative	0.0012	0.013	0.0239
Brugia malayi	Carboxylesterase family protein	0.0082	0.2701	0.2701
Schistosoma mansoni	cript-related	0.0012	0.013	0.013
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0012	0.013	0.013
Echinococcus multilocularis	ETS transcription factor Elf 5	0.001	0.0083	0.0308
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0012	0.013	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0214	0.0214
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.2701	0.2701
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0014	0.0214	0.0794
Onchocerca volvulus		0.0035	0.0998	0.22
Onchocerca volvulus		0.0014	0.0214	0.0215
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.2498	0.9248
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0012	0.013	0.0239
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0998	0.3694
Echinococcus granulosus	cytochrome P450 2K1	0.001	0.0089	0.0329
Brugia malayi	hypothetical protein	0.0017	0.0321	0.0321
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0998	0.0998
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0057	0.1793	0.6639
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.1873	0.6937
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0012	0.013	0.0228
Leishmania major	hypothetical protein, conserved	0.0012	0.013	0.0228
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0998	0.1157
Echinococcus multilocularis	neutral sphingomyelinase	0.0012	0.013	0.048
Entamoeba histolytica	hypothetical protein	0.0076	0.2498	1
Onchocerca volvulus		0.0035	0.0998	0.22
Brugia malayi	hypothetical protein	0.0076	0.2498	0.2498
Schistosoma mansoni	neutral sphingomyelinase	0.0012	0.013	0.013
Trichomonas vaginalis	ap endonuclease, putative	0.0057	0.1793	0.1685
Loa Loa (eye worm)	D-ets-2 protein	0.001	0.0083	0.0083
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0057	0.1793	0.5
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.1873	0.6937
Echinococcus granulosus	synaptojanin 1	0.0012	0.013	0.048
Trichomonas vaginalis	ap endonuclease, putative	0.0057	0.1793	0.1685
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0998	0.5333
Schistosoma mansoni	hypothetical protein	0.0012	0.013	0.013
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0998	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0998	0.0998
Loa Loa (eye worm)	CYP4Cod1	0.001	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2701	0.2701
Trichomonas vaginalis	spcc417.12 protein, putative	0.0014	0.0214	0.0086
Onchocerca volvulus		0.0014	0.0214	0.0215
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0658	0.3175
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0014	0.0214	0.0794
Echinococcus granulosus	traf and tnf receptor associated protein	0.0012	0.013	0.048
Brugia malayi	Cytochrome P450 family protein	0.0048	0.1455	0.1455
Onchocerca volvulus		0.0014	0.0214	0.0215
Mycobacterium ulcerans	glutaminase	0.0282	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0998	0.3694
Schistosoma mansoni	hypothetical protein	0.001	0.0083	0.0083
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0658	0.3338
Echinococcus multilocularis	neuroligin	0.0014	0.0214	0.0794
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.1873	0.1801
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.2701	0.2701
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0733	0.0733
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0012	0.013	0.013
Onchocerca volvulus	Huntingtin homolog	0.0119	0.4076	1
Brugia malayi	Carboxylesterase family protein	0.0082	0.2701	0.2701
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0014	0.0214	0.0794
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0057	0.1793	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0658	0.3338
Brugia malayi	DNA-binding protein D-ETS-3	0.001	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0214	0.0214
Onchocerca volvulus	Huntingtin homolog	0.0119	0.4076	1
Brugia malayi	Cytochrome P450 family protein	0.001	0.0089	0.0089
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0214	0.0214
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.1946	0.1946
Echinococcus multilocularis	para nitrobenzyl esterase	0.0014	0.0214	0.0794
Mycobacterium ulcerans	lipase LipD	0.0035	0.0998	0.0917
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0012	0.013	0.013
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.7944	1
Schistosoma mansoni	ap endonuclease	0.0057	0.1793	0.1793
Schistosoma mansoni	hypothetical protein	0.001	0.0083	0.0083
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0998	0.1157
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.1648	0.8739
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1416	0.5241
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0012	0.013	0.0228
Leishmania major	inositol/phosphatidylinositol phosphatase, putative	0.0012	0.013	0.0228
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0658	0.3338
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0998	0.5219
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0014	0.0214	0.016
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0057	0.1793	0.955
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0998	0.5333
Echinococcus multilocularis	CCR4 NOT transcription complex subunit 6	0.0012	0.013	0.048
Loa Loa (eye worm)	hypothetical protein	0.0012	0.013	0.013
Leishmania major	hypothetical protein, conserved	0.0026	0.0658	0.3188
Onchocerca volvulus		0.0014	0.0214	0.0215
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.1873	0.1873
Echinococcus multilocularis	ETS transcription factor Elf 2	0.001	0.0083	0.0308
Schistosoma mansoni	gabp alpha	0.0071	0.229	0.229
Brugia malayi	beta-lactamase family protein	0.0035	0.0998	0.0998
Leishmania major	inositol phosphosphingolipid phospholipase C-Like	0.0012	0.013	0.0228
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0012	0.013	0.013
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.2498	0.2498
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1416	0.1416
Schistosoma mansoni	hypothetical protein	0.001	0.0089	0.0089
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1416	0.5241
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0057	0.1793	1
Brugia malayi	Cytochrome P450 family protein	0.001	0.0089	0.0089
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0998	0.088
Trypanosoma cruzi	RNA-editing complex protein MP100, putative	0.0012	0.013	0.0239
Brugia malayi	Carboxylesterase family protein	0.0014	0.0214	0.0214
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0057	0.1793	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0012	0.013	0.0239
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.1873	0.2272
Echinococcus granulosus	GA binding protein alpha chain	0.0071	0.229	0.8481
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0012	0.013	0.013
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1416	0.1416
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0057	0.1793	0.1719
Echinococcus granulosus	protein C ets 2	0.001	0.0083	0.0308
Leishmania major	hypothetical protein, conserved	0.0012	0.013	0.0228
Trichomonas vaginalis	glutaminase, putative	0.0282	1	1
Echinococcus multilocularis	traf and tnf receptor associated protein	0.0012	0.013	0.048
Echinococcus granulosus	acetylcholinesterase	0.0082	0.2701	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0998	0.0998
Loa Loa (eye worm)	hypothetical protein	0.001	0.0083	0.0083
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1946	0.1946
Brugia malayi	Cytochrome P450 family protein	0.001	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0012	0.013	0.013
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0012	0.013	0.048
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0658	0.0658
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0026	0.0095
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.2701	1
Echinococcus granulosus	inositol polyphosphate 5 phosphatase OCRL 1	0.0012	0.013	0.048
Trypanosoma cruzi	Inositol phosphosphingolipids phospholipase C	0.0012	0.013	0.0239
Brugia malayi	TAR-binding protein	0.0061	0.1946	0.1946
Brugia malayi	Carboxylesterase family protein	0.0014	0.0214	0.0214
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1946	0.1946
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0998	0.1157
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0012	0.013	0.0239
Leishmania major	endonuclease/exonuclease protein-like protein	0.0012	0.013	0.0228
Schistosoma mansoni	ets-related	0.001	0.0083	0.0083
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0057	0.1793	1
Schistosoma mansoni	cpg binding protein	0.003	0.0791	0.0791
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0214	0.016
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.188	0.188
Loa Loa (eye worm)	fli-1 protein	0.0214	0.7547	0.7547
Brugia malayi	exodeoxyribonuclease III family protein	0.0057	0.1793	0.1793
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0214	0.0214
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.1946	0.1946
Schistosoma mansoni	hypothetical protein	0.0012	0.0134	0.0134
Brugia malayi	Fli-1 protein	0.0214	0.7547	0.7547
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.2701	1
Brugia malayi	hypothetical protein	0.0014	0.0214	0.0214
Loa Loa (eye worm)	cytochrome P450 family protein	0.001	0.0089	0.0089
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0012	0.013	0.048
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0658	0.3175
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0998	0.0917
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.1946	0.1946
Trypanosoma brucei	Endonuclease/Exonuclease/phosphatase family, putative	0.0012	0.013	0.0239
Brugia malayi	beta-lactamase	0.0035	0.0998	0.0998
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0998	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1416	0.5241
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.3983	0.3983
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0214	0.0214
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0214	0.016
Brugia malayi	hypothetical protein	0.0026	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0012	0.013	0.013
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0057	0.1793	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.1 uM/L	Inhibition of human acetyl cholinesterase by Ellmann's method	ChEMBL.	20951037

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: CHEMBL1288821

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 1261313