TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 313.394 | Formula: C18H23N3O2
H donors: 1 H acceptors: 3 LogP: 3.7 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cc2c(nc1C)nc1c(c2N)CCCCCC1
InChi: 1S/C18H23N3O2/c1-3-23-18(22)13-10-14-16(19)12-8-6-4-5-7-9-15(12)21-17(14)20-11(13)2/h10H,3-9H2,1-2H3,(H2,19,20,21)
InChiKey: LQZDBOQHVFTGOE-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	acetylcholinesterase (Yt blood group)	Starlite/ChEMBL	References
Electrophorus electricus	Acetylcholinesterase	Starlite/ChEMBL	References
Bos taurus	Acetylcholinesterase	Starlite/ChEMBL	References
Equus caballus	Cholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	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 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)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	613 aa	572 aa	41.6 %
Schistosoma mansoni	gliotactin	Cholinesterase	574 aa	587 aa	27.9 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	613 aa	511 aa	39.9 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	633 aa	690 aa	32.3 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	633 aa	576 aa	28.8 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	613 aa	26.8 %
Schistosoma japonicum	ko:K01050 cholinesterase [EC3.1.1.8], putative	Cholinesterase	574 aa	577 aa	36.9 %
Echinococcus granulosus	neuroligin	Cholinesterase	574 aa	492 aa	24.4 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	620 aa	28.4 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	576 aa	23.4 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	633 aa	690 aa	31.7 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	633 aa	507 aa	23.9 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	633 aa	622 aa	24.9 %
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %
Onchocerca volvulus	Galectin homolog	Cholinesterase	574 aa	531 aa	39.7 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	552 aa	31.3 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	517 aa	25.1 %
Brugia malayi	Carboxylesterase family protein	Cholinesterase	574 aa	538 aa	31.4 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	597 aa	25.1 %
Onchocerca volvulus		Acetylcholinesterase	633 aa	648 aa	25.3 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	633 aa	549 aa	30.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0494	0.1494
Echinococcus granulosus	neuroligin	0.0055	0.0454	0.0535
Onchocerca volvulus		0.0055	0.0454	0.9178
Loa Loa (eye worm)	acetylcholinesterase 1	0.0327	0.3292	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0055	0.0454	0.0535
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0003	0.0004
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0003	0.0004
Brugia malayi	Carboxylesterase family protein	0.0327	0.3292	1
Echinococcus granulosus	muscleblind protein	0.0179	0.1742	0.2051
Loa Loa (eye worm)	carboxylesterase	0.0327	0.3292	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0003	0.0004
Schistosoma mansoni	hypothetical protein	0.0049	0.0386	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0454	0.1371
Brugia malayi	Muscleblind-like protein	0.0179	0.1742	0.5286
Echinococcus multilocularis	muscleblind protein 1	0.0179	0.1742	0.1742
Schistosoma mansoni	coup transcription factor	0.0012	0.0003	0.0004
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0118	0.1106	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0003	0.0004
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0003	0.0003
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0405	0.122
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0055	0.0454	0.0535
Onchocerca volvulus		0.0028	0.0173	0.3457
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0098	0.022
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.0173	0.1565
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0173	0.0516
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0003	0.0003
Echinococcus multilocularis	Niemann Pick C1 protein	0.0168	0.1634	0.1634
Echinococcus multilocularis	neuroligin	0.0055	0.0454	0.0454
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0055	0.0454	0.0535
Loa Loa (eye worm)	carboxylesterase	0.0055	0.0454	0.1371
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0173	0.1583
Echinococcus granulosus	BC026374 protein S09 family	0.0055	0.0454	0.0535
Schistosoma mansoni	gliotactin	0.0055	0.0454	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0173	0.0516
Echinococcus multilocularis	tumor protein p63	0.0404	0.4095	0.4095
Brugia malayi	Carboxylesterase family protein	0.0327	0.3292	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1106	0.3353
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0635	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0173	0.0516
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3292	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0118	0.1106	0.3353
Onchocerca volvulus		0.0055	0.0454	0.9178
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0098	1
Echinococcus multilocularis	microtubule associated protein 2	0.0826	0.8492	0.8492
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0003	0.0004
Onchocerca volvulus		0.0055	0.0454	0.9178
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0003	0.0003
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0405	0.122
Schistosoma mansoni	hypothetical protein	0.0049	0.0386	0.0454
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0055	0.0454	0.6703
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3292	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0003	0.0004
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0003	0.0004
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0635	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0118	0.1106	0.1303
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0173	0.1394
Echinococcus multilocularis	muscleblind protein	0.0179	0.1742	0.1742
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0405	0.0476
Brugia malayi	Carboxylesterase family protein	0.0055	0.0454	0.1371
Onchocerca volvulus		0.0055	0.0454	0.9178
Loa Loa (eye worm)	carboxylesterase	0.0055	0.0454	0.1371
Brugia malayi	hypothetical protein	0.0055	0.0454	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0454	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0289
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0098	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0173	0.1394
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0003	0.0004
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0173	0.1394
Schistosoma mansoni	hypothetical protein	0.0203	0.1992	0.2346
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.012	0.1125	0.1325
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0098	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0003	0.0004
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0635	0.0635
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0173	0.1565
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0173	0.1394
Echinococcus granulosus	expressed conserved protein	0.0111	0.1032	0.1215
Echinococcus multilocularis	geminin	0.0203	0.1992	0.1992
Echinococcus granulosus	microtubule associated protein 2	0.0826	0.8492	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0173	0.0516
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0173	0.1394
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0173	0.1394
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0289
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0173	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0635	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0173	0.1394
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0523	0.1581
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0055	0.0454	0.6703
Giardia lamblia	Replication factor C, subunit 1	0.0012	0	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0826	0.8492	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0055	0.0454	0.6703
Schistosoma mansoni	hypothetical protein	0.0203	0.1992	0.2346
Echinococcus granulosus	acetylcholinesterase	0.0327	0.3292	0.3877
Brugia malayi	Carboxylesterase family protein	0.0055	0.0454	0.1371
Schistosoma mansoni	acetylcholinesterase	0.0055	0.0454	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0454	0.1371
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0003	0.0004
Echinococcus granulosus	acetylcholinesterase	0.0327	0.3292	0.3877
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0289
Echinococcus granulosus	carboxylesterase 5A	0.0327	0.3292	0.3877
Schistosoma mansoni	patched 1	0.0051	0.0405	0.0476
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0003	0.0004
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0635	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0454	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0173	0.0516
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0635	1
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0003	0.0004
Onchocerca volvulus		0.0059	0.0494	1
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1742	0.5286
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1742	0.5286
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0003	0.0003
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0055	0.0454	0.0535
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0327	0.3292	0.3877
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0454	0.1371
Echinococcus multilocularis	expressed conserved protein	0.0111	0.1032	0.1032
Brugia malayi	Carboxylesterase family protein	0.0055	0.0454	0.1371
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0003	0.0003
Echinococcus multilocularis	carboxylesterase 5A	0.0327	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0289
Schistosoma mansoni	hypothetical protein	0.0049	0.0386	0.0454
Echinococcus granulosus	geminin	0.0203	0.1992	0.2346
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0055	0.0454	0.0535
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0173	0.1565
Onchocerca volvulus		0.0055	0.0454	0.9178
Echinococcus multilocularis	acetylcholinesterase	0.0327	0.3292	0.3292
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0635	0.0748
Echinococcus granulosus	tumor protein p63	0.0404	0.4095	0.4823
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0635	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0055	0.0454	1
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0405	0.8908
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0635	0.0748
Echinococcus granulosus	para nitrobenzyl esterase	0.0055	0.0454	0.0535
Brugia malayi	CHE-14 protein	0.0051	0.0405	0.122
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0055	0.0454	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0454	0.1371
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0003	0.0004
Schistosoma mansoni	cellular tumor antigen P53	0.0059	0.0494	0.0582
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0173	0.0516
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0003	0.0004
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0003	0.0004
Echinococcus granulosus	Niemann Pick C1 protein	0.0168	0.1634	0.1924
Echinococcus multilocularis	para nitrobenzyl esterase	0.0055	0.0454	0.0454
Echinococcus multilocularis	acetylcholinesterase	0.0327	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0454	0.1371
Trichomonas vaginalis	spcc417.12 protein, putative	0.0055	0.0454	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0003	0.0004
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0173	0.1394
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0055	0.0454	0.0454
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0405	0.0476
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0003	0.0003
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0003	0.0004
Schistosoma mansoni	hypothetical protein	0.0049	0.0386	0.0454
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0173	0.5
Mycobacterium ulcerans	carboxylesterase, LipT	0.0055	0.0454	0.6629
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0479	0.0479
Echinococcus multilocularis	protein patched	0.0051	0.0405	0.0405
Brugia malayi	Carboxylesterase family protein	0.0055	0.0454	0.1371
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0003	0.0004
Echinococcus multilocularis	Niemann Pick C1 protein	0.0118	0.1106	0.1106
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0405	0.0405
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0055	0.0454	0.0535
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0003	0.0003
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0635	0.0748
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0173	0.1583

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 12.7 %	Cytotoxicity against human SH-SY5Y cells assessed as LDH release at 1 uM after 24 hrs by spectrophotometry (Rvb = 17.7%)	ChEMBL.	20575555
Activity (functional)	= 32.6 %	Neuroprotective activity in human SH-SY5Y cells assessed as protection against rotenone/oligomycin A-induced cell death at 1 uM after 24 hrs by LDH release assay	ChEMBL.	20575555
Activity (functional)	= 33.8 %	Neuroprotective activity in human SH-SY5Y cells assessed as protection against okadaic acid-induced cell death at 1 uM after 24 hrs by MTT assay	ChEMBL.	20575555
IC50 (binding)	= 0.4 uM	Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader	ChEMBL.	20575555
IC50 (binding)	= 0.4 uM	Inhibition of electric eel AChE by Ellman's method	ChEMBL.	20575555
IC50 (binding)	= 1.8 uM	Inhibition of AChE in human erythrocytes by Ellman's method	ChEMBL.	20575555
IC50 (binding)	= 5.3 uM	Inhibition of equine serum BuChE by Ellman's method	ChEMBL.	20575555
Inhibition (functional)	= 4 %	Inhibition of K(+)-induced intracellular Ca2+ uptake in human SH-SY5Y cells after 1 hr by Flou/AM fluorescence assay relative to control	ChEMBL.	20575555
Inhibition (binding)	= 10 %	Displacement of propidium iodide from AChE in bovine erythrocytes at 10 uM after 15 mins by fluorescence plate reader	ChEMBL.	20575555
Inhibition (binding)	= 10 %	Displacement of propidium iodide from AChE in bovine erythrocytes at 1 uM after 15 mins by fluorescence plate reader	ChEMBL.	20575555

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: CHEMBL1084519

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 1111168