TDR Targets

Basic information

Technical information

TDR Targets ID: 223889
Name: [3-[[ethyl-[3-(9-oxoxanthen-3-yl)oxypropyl]am ino]methyl]phenyl] N-heptylcarbamate
MW: 544.681 | Formula: C33H40N2O5
H donors: 1 H acceptors: 2 LogP: 7.65 Rotable bonds: 17
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCNC(=O)Oc1cccc(c1)CN(CCCOc1ccc2c(c1)oc1c(c2=O)cccc1)CC
InChi: 1S/C33H40N2O5/c1-3-5-6-7-10-19-34-33(37)39-27-14-11-13-25(22-27)24-35(4-2)20-12-21-38-26-17-18-29-31(23-26)40-30-16-9-8-15-28(30)32(29)36/h8-9,11,13-18,22-23H,3-7,10,12,19-21,24H2,1-2H3,(H,34,37)
InChiKey: FGVWGHNCIJAHRU-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

N-heptylcarbamic acid [3-[[ethyl-[3-[(9-oxo-3-xanthenyl)oxy]propyl]amino]methyl]phenyl] ester
N-heptylcarbamic acid [3-[[ethyl-[3-(9-ketoxanthen-3-yl)oxypropyl]amino]methyl]phenyl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Acetylcholinesterase	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
Echinococcus multilocularis	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
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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
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
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
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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	574 aa	24.0 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	614 aa	496 aa	24.0 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	614 aa	564 aa	29.8 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	570 aa	25.4 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	614 aa	547 aa	32.5 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	507 aa	26.4 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	583 aa	30.7 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	581 aa	27.0 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	573 aa	30.5 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	614 aa	642 aa	34.0 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	614 aa	642 aa	34.1 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	632 aa	25.6 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	614 aa	602 aa	24.3 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	614 aa	577 aa	40.7 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	614 aa	531 aa	39.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	carboxylesterase 5A	0.0164	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0658	0.093	0.093
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0071	0.0071
Brugia malayi	Bromodomain containing protein	0.0032	0.0025	0.0025
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0035	0.0328
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0017	0.0003	0.0003
Schistosoma mansoni	amidase	0.0123	0.0157	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0017	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0019
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1364	0.1953	0.1953
Schistosoma mansoni	nuclear hormone receptor	0.0017	0.0003	0.0003
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0017	0.0003	0.0003
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0017	0.0004	0.0004
Brugia malayi	hypothetical protein	0.0109	0.0136	0.0136
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0031	0.0024	0.0036
Schistosoma mansoni	dihydrofolate reductase	0.6924	1	1
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.0215	0.0215
Brugia malayi	Carboxylesterase family protein	0.0028	0.0019	0.0019
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0079	0.0092	0.0092
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.457	0.6592	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0027	0.0027
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0005	0.0005
Loa Loa (eye worm)	acetyltransferase	0.0102	0.0126	0.0126
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1364	0.1953	0.1953
Trichomonas vaginalis	amino acid permease, putative	0.0109	0.0136	0.1441
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0017	0.0003	0.0003
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0017	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0767	0.1088	0.1088
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0017	0.0003	0.0003
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0144	0.0187	0.0187
Onchocerca volvulus		0.0028	0.0019	0.008
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0017	0.0003	0.0003
Mycobacterium ulcerans	thymidylate synthase	0.1364	0.1953	0.1953
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0017	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0.0028	0.0019	0.0019
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0017	0.0003	0.0003
Echinococcus multilocularis	para nitrobenzyl esterase	0.0028	0.0019	0.0019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0017	0.0003	0.0003
Entamoeba histolytica	hypothetical protein	0.0028	0.0019	0.4652
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0021	0.0008	0.0005
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0049	0.0049	0.0049
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0033	0.0027	0.0027
Echinococcus multilocularis	FTZ F1 alpha	0.0017	0.0003	0.0003
Schistosoma mansoni	RAR-like nuclear receptor	0.0017	0.0003	0.0003
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.6924	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0017	0.0003	0.0003
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0049	0.0049	0.0049
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0042	0.0042
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0035	0.0035
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0005	0.0007
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0071	0.0071
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0035	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0017	0.0003	0.0003
Schistosoma mansoni	ap endonuclease	0.0018	0.0005	0.0005
Trichomonas vaginalis	spcc417.12 protein, putative	0.0028	0.0019	0.015
Brugia malayi	Carboxylesterase family protein	0.0028	0.0019	0.0019
Brugia malayi	amidase	0.0123	0.0157	0.0157
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0017	0.0003	0.0003
Schistosoma mansoni	retinoic acid receptor RXR	0.0017	0.0003	0.0003
Brugia malayi	Carboxylesterase family protein	0.0164	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0658	0.093	0.093
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0028	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0658	0.093	0.093
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.457	0.6592	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0023	0.0012	0.0012
Onchocerca volvulus		0.0021	0.0008	0.0028
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0089	0.0108	0.0108
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0005	0.0005
Schistosoma mansoni	fatty-acid amide hydrolase	0.0123	0.0157	0.0157
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0598	0.0844	0.0844
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0035	1
Brugia malayi	Carboxylesterase family protein	0.0164	0.0215	0.0215
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0071	0.0071
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0019	0.0019
Brugia malayi	Amino acid permease family protein	0.0109	0.0136	0.0136
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0017	0.0003	0.0003
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0102	0.0126	0.0126
Echinococcus granulosus	cation chloride cotransporter	0.0109	0.0136	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0019
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0005	0.0007
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0017	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0136	0.0136
Mycobacterium ulcerans	GabA permease GabP	0.0109	0.0136	0.0136
Onchocerca volvulus		0.0028	0.0019	0.008
Schistosoma mansoni	aldehyde dehydrogenase	0.0044	0.0043	0.0043
Entamoeba histolytica	hypothetical protein	0.0028	0.0019	0.4652
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0003	0.0003
Onchocerca volvulus		0.0028	0.0019	0.008
Loa Loa (eye worm)	hypothetical protein	0.0767	0.1088	0.1088
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0017	0.0003	0.0003
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0035	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0035	0.003	0.003
Loa Loa (eye worm)	steroid hormone receptor	0.0017	0.0003	0.0003
Trichomonas vaginalis	aromatic amino acid transporter, putative	0.0109	0.0136	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0019
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0017	0.0003	0.0003
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0783	0.1112	0.1112
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0027	0.0027
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0019	0.0019
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0017	0.0003	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0336	0.0465	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0019
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0017	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0058	0.0058
Brugia malayi	photoreceptor-specific nuclear receptor	0.0017	0.0003	0.0003
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0005	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.002	0.0007	0.0007
Toxoplasma gondii	aldehyde dehydrogenase	0.0044	0.0043	0.0057
Echinococcus granulosus	thymidylate synthase	0.1364	0.1953	0.1953
Loa Loa (eye worm)	hypothetical protein	0.0658	0.093	0.093
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0019	0.0019
Echinococcus granulosus	zinc finger protein	0.0018	0.0004	0.0004
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0044	0.0043	0.0043
Echinococcus granulosus	carboxylesterase 5A	0.0164	0.0215	0.0215
Onchocerca volvulus		0.0164	0.0216	0.1092
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.0003	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Brugia malayi	Steroid receptor seven-up type 2	0.0017	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0017	0.0003	0.0003
Echinococcus multilocularis	neuroligin	0.0028	0.0019	0.0019
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0044	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0658	0.093	0.093
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.457	0.6592	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0028	0.0028
Onchocerca volvulus		0.1364	0.1953	1
Loa Loa (eye worm)	dihydrofolate reductase	0.6924	1	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0031	0.0024	0.0208
Brugia malayi	RNA binding protein	0.0064	0.0071	0.0071
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0089	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0215	0.0215
Giardia lamblia	Histone acetyltransferase GCN5	0.0027	0.0018	0.1243
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0027	0.0027
Brugia malayi	TAR-binding protein	0.0064	0.0071	0.0071
Brugia malayi	hypothetical protein	0.0109	0.0136	0.0136
Echinococcus multilocularis	ecdysone induced protein 78C	0.0017	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0019
Brugia malayi	nuclear hormone receptor	0.0017	0.0003	0.0003
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0031	0.0024	0.0029
Echinococcus granulosus	acetylcholinesterase	0.0164	0.0215	0.0215
Echinococcus granulosus	para nitrobenzyl esterase	0.0028	0.0019	0.0019
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0079	0.0092	0.0092
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0071	0.0071
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0028	0.0019	0.0019
Trichomonas vaginalis	cation chloride cotransporter, putative	0.0109	0.0136	0.1441
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0005	0.1383
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0017	0.0003	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Brugia malayi	Pre-SET motif family protein	0.0144	0.0187	0.0187
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0017	0.0003	0.0003
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0017	0.0003	0.0003
Brugia malayi	steroid hormone receptor	0.0017	0.0003	0.0003
Echinococcus granulosus	fetal alzheimer antigen falz	0.0017	0.0004	0.0004
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0017	0.0003	0.0003
Mycobacterium tuberculosis	Possible L-asparagine permease AnsP2 (L-asparagine transport protein)	0.0109	0.0136	0.0136
Brugia malayi	Carboxylesterase family protein	0.0028	0.0019	0.0019
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0649	0.0918	0.1392
Mycobacterium tuberculosis	Probable GABA permease GabP (4-amino butyrate transport carrier) (GAMA-aminobutyrate permease)	0.0109	0.0136	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0003	0.0003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0017	0.0003	0.0003
Mycobacterium ulcerans	carboxylesterase, LipT	0.0028	0.0019	0.0019
Schistosoma mansoni	solute carrier family 12 electroneutral k-cl cotransporter	0.0767	0.1088	0.1088
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0097	0.012	0.012
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0017	0.0003	0.0003
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0017	0.0003	0.0003
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0028	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0767	0.1088	0.1088
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0035	0.0053
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0042	0.0042
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0017	0.0004	0.0004
Schistosoma mansoni	hypothetical protein	0.0023	0.0012	0.0012
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.457	0.6592	1
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Loa Loa (eye worm)	inositol-1	0.0039	0.0035	0.0035
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0071	0.0071
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0071	0.0071
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0028	0.0019	0.0019
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0021	0.0008	0.0008
Onchocerca volvulus	Solute carrier family 12 member 9 homolog	0.0109	0.0136	0.0685
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0031	0.0024	0.0208
Schistosoma mansoni	aldehyde dehydrogenase	0.0044	0.0043	0.0043
Brugia malayi	Dihydrofolate reductase	0.6924	1	1
Brugia malayi	thymidylate synthase	0.1364	0.1953	0.1953
Brugia malayi	PHD-finger family protein	0.0022	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0215	0.0215
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0071	0.0071
Trichomonas vaginalis	conserved hypothetical protein	0.0649	0.0918	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0005	0.0007
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0044	0.0043	0.0043
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0017	0.0003	0.0003
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0031	0.0024	0.0029
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0044	0.0043	0.0043
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Echinococcus granulosus	neuroligin	0.0028	0.0019	0.0019
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0017	0.0003	0.0003
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0035	0.0035
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.6924	1	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.0157	0.0157
Trichomonas vaginalis	set domain proteins, putative	0.0164	0.0216	0.231
Loa Loa (eye worm)	hypothetical protein	0.003	0.0021	0.0021
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0003	0.0003
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0008	0.0008
Brugia malayi	Angiotensin-converting enzyme family protein	0.077	0.1093	0.1093
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0017	0.0003	0.0003
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0042	0.0042
Mycobacterium tuberculosis	Probable D-serine/alanine/glycine transporter protein CycA	0.0109	0.0136	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0658	0.093	0.093
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0019
Schistosoma mansoni	thyroid hormone receptor	0.0017	0.0003	0.0003
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0031	0.0024	0.0024
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0598	0.0844	0.0844
Schistosoma mansoni	transcription factor LCR-F1	0.0028	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0003	0.0003
Schistosoma mansoni	zinc finger protein	0.0018	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0003	0.0003
Mycobacterium tuberculosis	Hypothetical protein	0.0649	0.0918	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0003	0.0003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0017	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0767	0.1088	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0108	0.0108
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0028	0.0019	0.0019
Entamoeba histolytica	acetyltransferase, GNAT family	0.0027	0.0018	0.4286
Trichomonas vaginalis	cation chloride cotransporter, putative	0.0109	0.0136	0.1441
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0658	0.093	0.093
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0136	0.0136
Entamoeba histolytica	hypothetical protein	0.0028	0.0019	0.4652
Chlamydia trachomatis	dihydrofolate reductase	0.6924	1	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0019
Trichomonas vaginalis	gaba permease, putative	0.0109	0.0136	0.1441
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0017	0.0003	0.0003
Brugia malayi	hypothetical protein	0.0028	0.0019	0.0019
Echinococcus multilocularis	zinc finger protein	0.0018	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Schistosoma mansoni	acetylcholinesterase	0.0028	0.0019	0.0019
Loa Loa (eye worm)	amino acid permease	0.0767	0.1088	0.1088
Echinococcus multilocularis	solute carrier family 12	0.0767	0.1088	0.1088
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0028	0.0019	0.0019
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0071	0.0071
Loa Loa (eye worm)	PHD-finger family protein	0.0016	0.0002	0.0002
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0028	0.0019	0.0019
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0027	0.0027
Schistosoma mansoni	bromodomain containing protein	0.0051	0.0053	0.0053
Brugia malayi	solute carrier family 12 member 1	0.0109	0.0136	0.0136
Schistosoma mansoni	cation chloride cotransporter	0.0109	0.0136	0.0136
Schistosoma mansoni	coup transcription factor	0.0017	0.0003	0.0003
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0071	0.0071
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.0157	0.0157
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0035	0.0328
Loa Loa (eye worm)	carboxylesterase	0.0164	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0003	0.0003
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0044	0.0043	0.0043
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0042	0.0042
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0005	0.0005
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0028	0.0019	0.015
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0005	0.0007
Onchocerca volvulus	Solute carrier family 12 member 8 homolog	0.0109	0.0136	0.0685
Echinococcus multilocularis	cation chloride cotransporter	0.0109	0.0136	0.0136
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Schistosoma mansoni	thyroid hormone receptor	0.0017	0.0003	0.0003
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0028	0.0019	0.0019
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0042	0.0042
Brugia malayi	Bromodomain containing protein	0.006	0.0066	0.0066
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0027	0.0027
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.0157	0.0157
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0042	0.0042
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.457	0.6592	1
Echinococcus granulosus	solute carrier family 12	0.0767	0.1088	0.1088
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0044	0.0043	0.0043
Brugia malayi	Carboxylesterase family protein	0.0028	0.0019	0.0019
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1364	0.1953	0.1953
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0071	0.0071
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.0029	0.0029
Schistosoma mansoni	gliotactin	0.0028	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0157	0.0157
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.6924	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0033	0.0027	0.0027
Brugia malayi	hypothetical protein	0.0649	0.0918	0.0918
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0017	0.0003	0.0003
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.457	0.6592	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0017	0.0003	0.0003
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0035	0.0035
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0044	0.0043	0.0064
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0005	0.0005
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0035	0.0053
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0035	0.0035
Brugia malayi	Inositol-1	0.0039	0.0035	0.0035
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0017	0.0003	0.0003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0042	0.0042
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	0.0215	0.0215
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0035	0.0053
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0042	0.0042
Echinococcus granulosus	dihydrofolate reductase	0.6924	1	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0089	0.0108	0.0108
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0017	0.0003	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0136	0.1441
Echinococcus granulosus	ecdysone induced protein 78C	0.0017	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0003	0.0003
Brugia malayi	Pre-SET motif family protein	0.0021	0.0008	0.0008
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0089	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0767	0.1088	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0767	0.1088	0.1088
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0028	0.0019	0.0019
Schistosoma mansoni	BC026374 protein (S09 family)	0.0028	0.0019	0.0019
Trichomonas vaginalis	lysine-specific permease, putative	0.0109	0.0136	0.1441
Brugia malayi	ecdysteroid receptor	0.0017	0.0003	0.0003
Brugia malayi	Hypothetical 112.3 kDa protein K02A2.3 in chromosome II	0.0767	0.1088	0.1088
Echinococcus granulosus	FTZ F1 alpha	0.0017	0.0003	0.0003
Brugia malayi	acetyltransferase, GNAT family protein	0.0102	0.0126	0.0126
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0089	0.0108	0.0108
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0089	0.0108	0.0157
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0021	0.0008	0.0008
Schistosoma mansoni	solute carrier family 12 k-cl cotransporter	0.0109	0.0136	0.0136
Plasmodium vivax	SET domain protein, putative	0.0021	0.0008	0.0013
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0136	0.0136
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0017	0.0003	0.0003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0042	0.0042
Mycobacterium ulcerans	L-asparagine permease AnsP1	0.0109	0.0136	0.0136
Onchocerca volvulus		0.0028	0.0019	0.008
Schistosoma mansoni	hypothetical protein	0.0016	0.0002	0.0002
Echinococcus granulosus	acetylcholinesterase	0.0164	0.0215	0.0215
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0005	0.0007
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.0157	0.0157
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0079	0.0092	0.0092
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0035	0.0053
Onchocerca volvulus		0.0028	0.0019	0.008
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.077	0.1093	0.1093
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0035	0.0328
Brugia malayi	nuclear receptor NHR-88	0.0017	0.0003	0.0003
Plasmodium falciparum	histone acetyltransferase GCN5	0.0027	0.0018	0.0027
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0019	0.0019
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0767	0.1088	0.1088
Loa Loa (eye worm)	solute carrier family 12 member 1	0.0109	0.0136	0.0136
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0071	0.0071
Echinococcus granulosus	BC026374 protein S09 family	0.0028	0.0019	0.0019
Schistosoma mansoni	ap endonuclease	0.0018	0.0005	0.0005
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0035	0.0045
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0017	0.0003	0.0003
Mycobacterium leprae	POSSIBLE L-ASPARAGINE PERMEASE ANSP2 (L-ASPARAGINE TRANSPORT PROTEIN)	0.0109	0.0136	0.0136
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0005	0.0005
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0079	0.0092	0.0092
Loa Loa (eye worm)	thymidylate synthase	0.1364	0.1953	0.1953
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0003	0.0003
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0019	0.0019
Mycobacterium ulcerans	D-serine/D-alanine/glycine transporter, CycA	0.0109	0.0136	0.0136
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0033	0.0027	0.0027
Echinococcus multilocularis	dihydrofolate reductase	0.6924	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0019	0.0019
Entamoeba histolytica	hypothetical protein	0.0028	0.0019	0.4652
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0017	0.0003	0.0003
Loa Loa (eye worm)	bromodomain containing protein	0.0016	0.0002	0.0002
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0005	0.0007
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0027	0.0027
Echinococcus multilocularis	thymidylate synthase	0.1364	0.1953	0.1953
Mycobacterium leprae	POSSIBLE L-ASPARAGINE PERMEASE ANSP1 (L-ASPARAGINE TRANSPORT PROTEIN)	0.0109	0.0136	0.0136
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0102	0.0126	0.0126
Brugia malayi	Amino acid permease family protein	0.0767	0.1088	0.1088
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0089	0.0108	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0017	0.0003	0.0003
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0028	0.0019	0.0019
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0019	0.0019

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 160 nM	Inhibition of rat acetylcholinesterase (AChE)	ChEMBL.	9767635
IC50 (binding)	= 160 nM	Inhibition of rat acetylcholinesterase (AChE)	ChEMBL.	9767635

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

PubChem: 10840995

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 223889