TDR Targets

Basic information

Technical information

TDR Targets ID: 588126
Name: 5,6-dimethoxy-2-[[7-(1,2,3,4-tetrahydroacridi n-9-ylamino)heptylamino]methyl]indan-1-one
MW: 515.686 | Formula: C32H41N3O3
H donors: 2 H acceptors: 2 LogP: 6.91 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc2c(cc1OC)CC(C2=O)CNCCCCCCCNc1c2CCCCc2nc2c1cccc2
InChi: 1S/C32H41N3O3/c1-37-29-19-22-18-23(32(36)26(22)20-30(29)38-2)21-33-16-10-4-3-5-11-17-34-31-24-12-6-8-14-27(24)35-28-15-9-7-13-25(28)31/h6,8,12,14,19-20,23,33H,3-5,7,9-11,13,15-18,21H2,1-2H3,(H,34,35)
InChiKey: LSAKEKKNQBBHNE-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

5,6-dimethoxy-2-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]-1-indanone
5,6-dimethoxy-2-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]-2,3-dihydroinden-1-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	butyrylcholinesterase	Starlite/ChEMBL	References
Bos taurus	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
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	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
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	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
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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Acetylcholinesterase	613 aa	565 aa	26.0 %
Brugia malayi	Carboxylesterase family protein	butyrylcholinesterase	602 aa	546 aa	30.2 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	613 aa	511 aa	39.9 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	613 aa	627 aa	33.8 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	613 aa	564 aa	30.3 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	613 aa	573 aa	26.5 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	613 aa	561 aa	24.6 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	552 aa	31.3 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	613 aa	601 aa	23.6 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	613 aa	491 aa	26.7 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	613 aa	26.8 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	613 aa	534 aa	23.2 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	613 aa	572 aa	41.6 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	613 aa	527 aa	32.3 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	613 aa	627 aa	34.0 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	613 aa	569 aa	31.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	beta-lactamase family protein	0.0036	0.0053	0.0258
Echinococcus multilocularis	tumor protein p63	0.0329	0.1306	0.1301
Wolbachia endosymbiont of Brugia malayi	replicative DNA helicase	0.0658	0.2714	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0053	0.0127
Brugia malayi	hypothetical protein	0.0035	0.0051	0.0243
Entamoeba histolytica	hypothetical protein	0.0035	0.0051	0.0218
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0053	0.0127
Echinococcus granulosus	acetylcholinesterase	0.0164	0.0601	0.2161
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0225	0.0863	0.4607
Brugia malayi	Bromodomain containing protein	0.0029	0.0023	0.0093
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0226	0.0398
Mycobacterium ulcerans	acyl-CoA synthetase	0.007	0.0198	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0074
Brugia malayi	Carboxylesterase family protein	0.0164	0.0601	0.32
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0124	0.0432	0.1548
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0023	0.0788
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0074
Loa Loa (eye worm)	twinkle helicase	0.0188	0.0705	0.3758
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0013	0.0344
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0094	0.0302	0.1593
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.0226	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0123	0.0632
Echinococcus multilocularis	sterol regulatory element binding protein	0.0082	0.0252	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0252	0.1324
Loa Loa (eye worm)	hypothetical protein	0.0191	0.0718	0.3832
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0124	0.0432	0.1548
Brugia malayi	AMP-binding enzyme family protein	0.007	0.0198	0.1036
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0023	0.0018
Onchocerca volvulus		0.0036	0.0053	0.1213
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.007	0.0198	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0123	0.0632
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0028	0.0019	0.0014
Echinococcus granulosus	survival motor neuron protein 1	0.046	0.1866	0.6752
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.007	0.0198	0.0664
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0053	0.023
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0053	0.2178
Loa Loa (eye worm)	hypothetical protein	0.007	0.0198	0.1036
Echinococcus multilocularis	protein dispatched 1	0.0094	0.0301	0.0296
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0082	0.0252	0.1324
Giardia lamblia	PHD finger protein 15	0.0029	0.0023	0.5
Schistosoma mansoni	patched 1	0.0082	0.0252	0.0894
Plasmodium falciparum	acyl-CoA synthetase	0.0052	0.0123	0.5327
Leishmania major	hypothetical protein, conserved	0.0036	0.0053	0.27
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0053	0.0048
Brugia malayi	Importin beta-1 subunit	0.0029	0.0023	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0074
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0124	0.0432	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0123	0.0632
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0053	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0226	0.1186
Entamoeba histolytica	acyl-CoA synthetase, putative	0.007	0.0198	0.0853
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0123	0.0632
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0152	0.0791
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	0.0601	0.2161
Echinococcus multilocularis	lysine specific demethylase 5A	0.0092	0.0293	0.0287
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0053	0.0127
Schistosoma mansoni	hypothetical protein	0.0094	0.0302	0.1076
Loa Loa (eye worm)	glutaminase 2	0.0292	0.1147	0.6137
Echinococcus granulosus	lysine specific demethylase 5A	0.0092	0.0293	0.1042
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0023	0.0017
Trichomonas vaginalis	conserved hypothetical protein	0.0082	0.0252	0.1084
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0023	0.0093
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0023	0.0788
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0023	0.0063
Brugia malayi	beta-lactamase family protein	0.0036	0.0053	0.0258
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0053	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0028	0.0019	0.0083
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0019	0.005
Echinococcus multilocularis	neuroligin	0.0028	0.0019	0.0014
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0198	0.0664
Leishmania major	4-coumarate:coa ligase-like protein	0.007	0.0198	1
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0053	0.0127
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0053	1
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0024	0.0005	0.1008
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0114	0.0352
Brugia malayi	CHE-14 protein	0.0082	0.0252	0.1324
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0019	0.005
Schistosoma mansoni	survival motor neuron protein	0.0094	0.0302	0.1076
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0028	0.0019	0.0083
Trichomonas vaginalis	glutaminase, putative	0.0292	0.1147	0.4938
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0107	0.0367
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0023	0.0788
Treponema pallidum	replicative DNA helicase (dnaB)	0.0658	0.2714	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0191	0.0718	0.2587
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0601	0.32
Loa Loa (eye worm)	jmjC domain-containing protein	0.0092	0.0293	0.1544
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0023	0.0788
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.0111	0.034
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.0875	0.3177
Brugia malayi	Niemann-Pick C1 protein precursor	0.0191	0.0718	0.3832
Schistosoma mansoni	glutaminase	0.0292	0.1147	0.4144
Echinococcus granulosus	microtubule associated protein 2	0.0669	0.2761	1
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.0601	0.0596
Schistosoma mansoni	microtubule-associated protein tau	0.0669	0.2761	1
Schistosoma mansoni	Replicative DNA helicase	0.0658	0.2714	0.983
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0023	0.3684
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0138	0.0489	0.2599
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0019	0.0074
Chlamydia trachomatis	replicative DNA helicase	0.0658	0.2714	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0053	0.0258
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0028	0.0019	0.005
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.007	0.0198	0.0664
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0024	0.0005	0.1008
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0023	0.0063
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0226	0.0398
Mycobacterium leprae	PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase	0.0658	0.2714	1
Echinococcus multilocularis	peregrin	0.0029	0.0023	0.0017
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0108	0.0553
Brugia malayi	hypothetical protein	0.046	0.1866	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0051	0.0045
Echinococcus granulosus	peregrin	0.0029	0.0023	0.0063
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0226	0.0768
Echinococcus granulosus	neuroligin	0.0028	0.0019	0.005
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0194	0.0731	0.2633
Brugia malayi	Carboxylesterase family protein	0.0028	0.0019	0.0074
Entamoeba histolytica	hypothetical protein	0.0035	0.0051	0.0218
Onchocerca volvulus		0.0036	0.0053	0.1213
Echinococcus granulosus	Niemann Pick C1 protein	0.0273	0.1069	0.386
Brugia malayi	RNA, U transporter 1	0.0081	0.0248	0.1306
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0053	0.0258
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0138	0.0489	0.2599
Echinococcus multilocularis	snurportin 1	0.0305	0.1205	0.12
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0052	0.0123	0.0385
Entamoeba histolytica	hypothetical protein	0.0035	0.0051	0.0218
Echinococcus multilocularis	carboxylesterase 5A	0.0164	0.0601	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0074
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.007	0.0065
Echinococcus multilocularis	para nitrobenzyl esterase	0.0028	0.0019	0.0014
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.015	0.0544	0.1955
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.0489	0.0484
Echinococcus multilocularis	Niemann Pick C1 protein	0.0191	0.0718	0.0713
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0053	0.015
Schistosoma mansoni	hypothetical protein	0.0305	0.1205	0.4353
Echinococcus multilocularis	expressed conserved protein	0.018	0.0669	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0175	0.0911
Echinococcus granulosus	para nitrobenzyl esterase	0.0028	0.0019	0.005
Mycobacterium tuberculosis	Probable replicative DNA helicase DnaB	0.0658	0.2714	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0023	0.3684
Plasmodium falciparum	importin beta, putative	0.0029	0.0023	0.0802
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.007	0.0198	0.0685
Leishmania major	4-coumarate:coa ligase-like protein	0.007	0.0198	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.0489	0.1755
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.0489	0.1755
Brugia malayi	jmjC domain containing protein	0.015	0.0544	0.2895
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0043	0.02
Schistosoma mansoni	hypothetical protein	0.0079	0.0239	0.0848
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0019	0.0074
Schistosoma mansoni	hypothetical protein	0.0079	0.0239	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0123	0.0632
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0051	0.0164
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0092	0.0293	0.1042
Trichomonas vaginalis	esterase, putative	0.0036	0.0053	0.023
Plasmodium vivax	acyl-CoA synthetase, putative	0.0052	0.0123	0.5327
Brugia malayi	beta-lactamase	0.0036	0.0053	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0601	0.32
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0053	0.023
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0053	0.023
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0124	0.0432	0.1548
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.007	0.0198	0.0664
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0108	0.0553
Mycobacterium ulcerans	lipase LipD	0.0036	0.0053	0.0127
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.0111	0.034
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0074
Mycobacterium ulcerans	hypothetical protein	0.007	0.0198	0.0664
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0053	0.0127
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0226	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0331	0.1748
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0023	0.0095
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	0.0601	0.32
Onchocerca volvulus		0.0036	0.0053	0.1213
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0023	0.0093
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0124	0.0432	0.2293
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.0601	0.0596
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0226	1
Brugia malayi	Probable ClpP-like protease	0.0076	0.0226	0.1186
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0053	0.0174
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0053	0.0127
Echinococcus multilocularis	Niemann Pick C1 protein	0.0273	0.1069	0.1064
Brugia malayi	follicle stimulating hormone receptor	0.0225	0.0863	0.4607
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.0226	0.0801
Mycobacterium ulcerans	glutaminase	0.0292	0.1147	0.4186
Loa Loa (eye worm)	hypothetical protein	0.046	0.1866	1
Echinococcus multilocularis	protein patched	0.0082	0.0252	0.0246
Schistosoma mansoni	hypothetical protein	0.0079	0.0239	0.0848
Toxoplasma gondii	ABC1 family protein	0.0036	0.0053	0.2178
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0053	0.0258
Entamoeba histolytica	dual specificity protein phosphatase, putative	0.0567	0.2323	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.0489	0.1755
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0074
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.0226	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0053	0.0258
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0023	0.0064
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0053	0.0127
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0053	0.0127
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0053	0.023
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.015	0.0544	0.0539
Brugia malayi	Carboxylesterase family protein	0.0028	0.0019	0.0074
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.0226	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0053	0.0127
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0028	0.0019	0.0014
Mycobacterium ulcerans	acyl-CoA synthetase	0.007	0.0198	0.0664
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.0567	0.2323	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0114	0.0109
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0023	0.0802
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0191	0.0718	0.3092
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.0226	0.0801
Loa Loa (eye worm)	hypothetical protein	0.007	0.0198	0.1036
Leishmania major	hypothetical protein, conserved	0.0024	0.0005	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0108	0.0553
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0052	0.0123	0.0385
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0226	0.0768
Schistosoma mansoni	gliotactin	0.0028	0.0019	0.005
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0053	0.0258
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0053	0.0258
Entamoeba histolytica	acyl-coA synthetase, putative	0.007	0.0198	0.0853
Echinococcus multilocularis	survival motor neuron protein 1	0.046	0.1866	0.1862
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0108	0.0553
Echinococcus granulosus	expressed conserved protein	0.018	0.0669	0.2407
Onchocerca volvulus		0.0048	0.0107	0.3093
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.0111	0.034
Echinococcus granulosus	carboxylesterase 5A	0.0164	0.0601	0.2161
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0053	0.0127
Loa Loa (eye worm)	glutaminase	0.0292	0.1147	0.6137
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0053	0.023
Schistosoma mansoni	acetylcholinesterase	0.0028	0.0019	0.005
Echinococcus granulosus	sterol regulatory element binding protein	0.0082	0.0252	0.0894
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0053	0.0127
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0053	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0053	0.0258
Echinococcus granulosus	snurportin 1	0.0305	0.1205	0.4353
Echinococcus granulosus	BC026374 protein S09 family	0.0028	0.0019	0.005
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.007	0.0198	0.0664
Loa Loa (eye worm)	carboxylesterase	0.0164	0.0601	0.32
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0053	0.015
Mycobacterium ulcerans	acyl-CoA synthetase	0.007	0.0198	0.0664
Mycobacterium ulcerans	replicative DNA helicase DnaB	0.0658	0.2714	1
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0023	0.0802
Echinococcus granulosus	tumor protein p63	0.0329	0.1306	0.472
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0053	0.0127
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.0489	0.1755
Schistosoma mansoni	hypothetical protein	0.0079	0.0239	0.0848
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.0489	0.1755
Brugia malayi	jmjC domain containing protein	0.0092	0.0293	0.1544
Echinococcus granulosus	jumonji domain containing protein	0.004	0.007	0.0236
Echinococcus granulosus	Protein patched homolog 1	0.0082	0.0252	0.0894
Schistosoma mansoni	hypothetical protein	0.0029	0.0023	0.0063
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0053	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0107	0.0544
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0013	0.0344
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0114	0.0352
Loa Loa (eye worm)	hypothetical protein	0.007	0.0198	0.1036
Leishmania major	4-coumarate:coa ligase-like protein	0.007	0.0198	1
Brugia malayi	Carboxylesterase family protein	0.0028	0.0019	0.0074
Schistosoma mansoni	BC026374 protein (S09 family)	0.0028	0.0019	0.005
Entamoeba histolytica	hypothetical protein	0.0035	0.0051	0.0218
Toxoplasma gondii	hypothetical protein	0.0026	0.0013	0.0344
Brugia malayi	PHD-finger family protein	0.0029	0.0023	0.0093
Onchocerca volvulus		0.0094	0.0302	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0124	0.0432	0.0427
Onchocerca volvulus	Alhambra homolog	0.0029	0.0023	0.0127
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.0111	0.034
Onchocerca volvulus		0.007	0.0198	0.6331
Brugia malayi	AMP-binding enzyme family protein	0.007	0.0198	0.1036
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0053	0.0258
Schistosoma mansoni	hypothetical protein	0.0035	0.0051	0.0164
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0028	0.0019	0.005
Brugia malayi	AMP-binding enzyme family protein	0.007	0.0198	0.1036
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0226	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0043	0.0135
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0226	0.0789
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0092	0.0293	0.1042
Brugia malayi	Carboxylesterase family protein	0.0164	0.0601	0.32
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0053	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0124	0.0432	0.2293
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0043	0.02
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0019	0.005
Echinococcus granulosus	acetylcholinesterase	0.0164	0.0601	0.2161
Schistosoma mansoni	jumonji domain containing protein	0.0131	0.0462	0.1657
Brugia malayi	glutaminase DH11.1	0.0292	0.1147	0.6137
Schistosoma mansoni	importin beta-1	0.0029	0.0023	0.0064
Echinococcus multilocularis	microtubule associated protein 2	0.0669	0.2761	0.2757
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.0114	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0074
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0051	0.0164
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0305	0.1205	0.6447
Entamoeba histolytica	acyl-CoA synthetase, putative	0.007	0.0198	0.0853
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.007	0.0198	0.0664
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0114	0.0394
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0053	0.0127
Brugia malayi	Carboxylesterase family protein	0.0028	0.0019	0.0074
Brugia malayi	hypothetical protein	0.0028	0.0019	0.0074
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.0489	0.0484
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0053	0.0127

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.6 nM	Inhibition of human serum BChE by Ellman's assay	ChEMBL.	18517184
IC50 (binding)	= 25 nM	Inhibition of bovine erythrocyte AChE by Ellman's assay	ChEMBL.	18517184

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

Search by CAS
ChEMBL: CHEMBL484306
PubChem: 10075220

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 588126