TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 434.913 | Formula: C22H27ClN2O5
H donors: 0 H acceptors: 2 LogP: 4.15 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CCC1CN(c2c1ccc(c2)OC(=O)N(c1ccc(cc1)OC)C)C.Cl
InChi: 1S/C22H26N2O5.ClH/c1-23-14-15(5-12-21(25)28-4)19-11-10-18(13-20(19)23)29-22(26)24(2)16-6-8-17(27-3)9-7-16;/h6-11,13,15H,5,12,14H2,1-4H3;1H
InChiKey: VNWPCFUKISXMLC-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
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
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
Brugia malayi	Carboxylesterase family 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
Loa Loa (eye worm)	carboxylesterase	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 japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	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	Acetylcholinesterase 1 precursor, 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)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	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	613 aa	569 aa	31.3 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	613 aa	534 aa	23.2 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	565 aa	26.0 %
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	Putative nuclear protein	Acetylcholinesterase	613 aa	572 aa	41.6 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	613 aa	26.8 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	613 aa	511 aa	39.9 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	613 aa	564 aa	30.3 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	613 aa	627 aa	34.0 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	613 aa	561 aa	24.6 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	613 aa	627 aa	33.8 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	613 aa	527 aa	32.3 %
Onchocerca volvulus		Acetylcholinesterase	613 aa	552 aa	31.3 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	613 aa	573 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0066	0.7847	0.9757
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0029	0.2983	0.3794
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0029	0.2983	0.3794
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0714	0.0714
Brugia malayi	ABC transporter family protein	0.0029	0.2983	0.2983
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0029	0.2983	0.279
Echinococcus granulosus	ATP binding cassette sub family B	0.0029	0.2983	0.2983
Loa Loa (eye worm)	ABC transporter	0.0029	0.2983	0.2983
Trichomonas vaginalis	ABC transporter, putative	0.0067	0.8042	1
Schistosoma mansoni	multidrug resistance protein	0.0067	0.8042	0.8042
Entamoeba histolytica	P-glycoprotein 5, putative	0.0067	0.8042	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0014	0.1025	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1025	0.1025
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0067	0.8042	1
Brugia malayi	multidrug resistance related protein 1	0.0066	0.7847	0.7847
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0067	0.8042	0.5
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0029	0.2983	0.5
Plasmodium vivax	multidrug resistance protein 1, putative	0.0067	0.8042	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0714	0.0714
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0014	0.1025	0.1025
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0067	0.8042	0.8042
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0029	0.2983	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0067	0.8042	1
Schistosoma mansoni	coup transcription factor	0.0011	0.0714	0.0714
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0714	0.0714
Leishmania major	p-glycoprotein e	0.0066	0.7847	0.9757
Echinococcus multilocularis	multidrug resistance protein 1	0.0067	0.8042	0.8042
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0714	0.0714
Toxoplasma gondii	ABC transporter family protein	0.0029	0.2983	0.3702
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0029	0.2983	0.3702
Onchocerca volvulus		0.0014	0.1025	0.0425
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0029	0.2983	0.3702
Schistosoma mansoni	smdr1	0.0029	0.2983	0.2983
Brugia malayi	hypothetical protein	0.0029	0.2983	0.2983
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0714	0.0714
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0714	0.0714
Echinococcus multilocularis	ATP binding cassette sub family B	0.0029	0.2983	0.2983
Echinococcus granulosus	multidrug resistance protein 1	0.0039	0.4399	0.4399
Brugia malayi	ABC transporter family protein	0.0029	0.2983	0.2983
Plasmodium vivax	ABC transporter B family member 5, putative	0.0029	0.2983	0.3702
Entamoeba histolytica	hypothetical protein	0.0041	0.4587	0.5699
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0714	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0064	0.7707	0.7707
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0067	0.8042	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0714	0.0714
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0714	0.0714
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0029	0.2983	0.279
Brugia malayi	Carboxylesterase family protein	0.0014	0.1025	0.1025
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0714	0.0714
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0714	0.0714
Brugia malayi	hypothetical protein	0.0014	0.1025	0.1025
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0029	0.2983	0.5
Echinococcus multilocularis	neuroligin	0.0014	0.1025	0.1025
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0066	0.7847	1
Plasmodium vivax	ABC transporter B family member 6, putative	0.0029	0.2983	0.3702
Brugia malayi	Carboxylesterase family protein	0.0014	0.1025	0.1025
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0067	0.8042	0.8042
Onchocerca volvulus		0.0014	0.1025	0.0425
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0714	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0714	0.0714
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0029	0.2983	0.3702
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0714	0.0714
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0067	0.8042	1
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0714	0.0714
Entamoeba histolytica	P-glyco protein 6, putative	0.0067	0.8042	1
Schistosoma mansoni	multidrug resistance protein	0.0067	0.8042	0.8042
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0714	0.0714
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0066	0.7847	0.9757
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0714	0.0714
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0714	0.0714
Schistosoma mansoni	multidrug resistance protein	0.0066	0.7847	0.7847
Loa Loa (eye worm)	multidrug resistance protein 3	0.0067	0.8042	0.8042
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.4587	0.4587
Trichomonas vaginalis	taga, putative	0.0067	0.8042	1
Echinococcus granulosus	multidrug resistance associated protein 4	0.0037	0.4065	0.4065
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0029	0.2983	0.3794
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0714	0.0714
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0067	0.8042	1
Loa Loa (eye worm)	carboxylesterase	0.0014	0.1025	0.1025
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0067	0.8042	0.8042
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0714	0.0714
Plasmodium vivax	ABC transporter B family member 4, putative	0.0029	0.2983	0.3702
Entamoeba histolytica	hypothetical protein	0.0041	0.4587	0.5699
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0067	0.8042	0.8042
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0028	0.2843	0.2591
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0037	0.4065	0.4065
Brugia malayi	steroid hormone receptor	0.0011	0.0714	0.0714
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.2983	0.3702
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0714	0.0714
Echinococcus multilocularis	multidrug resistance protein 1	0.0039	0.4399	0.4399
Entamoeba histolytica	P-glycoprotein-5	0.0067	0.8042	1
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0029	0.2983	0.2983
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0714	0.0714
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.2983	0.3702
Plasmodium vivax	multidrug resistance protein 2, putative	0.0029	0.2983	0.3702
Giardia lamblia	ABC transporter, putative	0.0066	0.7847	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0014	0.1025	0.1025
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0714	0.0714
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0029	0.2983	0.3702
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0067	0.8042	1
Brugia malayi	P-glycoprotein-like protein	0.0029	0.2983	0.2983
Loa Loa (eye worm)	hypothetical protein	0.0066	0.7847	0.7847
Plasmodium falciparum	multidrug resistance protein 2	0.0029	0.2983	0.3702
Echinococcus multilocularis	para nitrobenzyl esterase	0.0014	0.1025	0.1025
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0029	0.2983	1
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0006	0.0009	0.0009
Entamoeba histolytica	P-glycoprotein 6, putative	0.0029	0.2983	0.3702
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0714	0.0714
Brugia malayi	ecdysteroid receptor	0.0011	0.0714	0.0714
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0714	0.0714
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0714	0.0714
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0714	0.0714
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0029	0.2983	1
Plasmodium vivax	ABC transporter B family member 7, putative	0.0029	0.2983	0.3702
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0066	0.7847	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0714	0.0714
Echinococcus granulosus	neuroligin	0.0014	0.1025	0.1025
Schistosoma mansoni	gliotactin	0.0014	0.1025	0.1025
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0714	0.0714
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0014	0.1025	0.1025
Echinococcus multilocularis	multidrug resistance protein 1	0.0067	0.8042	0.8042
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0066	0.7847	0.9757
Plasmodium vivax	ABC transporter B family member 3, putative	0.0029	0.2983	0.3702
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0067	0.8042	1
Brugia malayi	hypothetical protein	0.0041	0.4587	0.4587
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0067	0.8042	0.8042
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0029	0.2983	0.3702
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0066	0.7847	0.9757
Echinococcus granulosus	ATP binding cassette sub family B	0.0029	0.2983	0.2983
Loa Loa (eye worm)	ABC transporter	0.0029	0.2983	0.2983
Echinococcus granulosus	ATP binding cassette sub family G	0.0006	0.0009	0.0009
Schistosoma mansoni	smdr2	0.0067	0.8042	0.8042
Brugia malayi	ABC transporter family protein	0.0067	0.8042	0.8042
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0714	0.0714
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0714	0.0714
Giardia lamblia	MRP-like ABC transporter	0.0066	0.7847	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0067	0.8042	0.8042
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1025	0.1025
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.1025	0.1025
Echinococcus granulosus	multidrug resistance protein 1	0.0067	0.8042	0.8042
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0714	0.0714
Entamoeba histolytica	P-glycoprotein-2, putative	0.0067	0.8042	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0714	0.0714
Trypanosoma cruzi	hypothetical protein	0.0037	0.4065	0.5175
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0714	0.0714
Leishmania major	pentamidine resistance protein 1	0.0066	0.7847	0.9757
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0066	0.7847	0.7847
Echinococcus granulosus	multidrug resistance protein 1	0.0039	0.4399	0.4399
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0029	0.2983	1
Trypanosoma brucei	p-glycoprotein	0.0066	0.7847	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0028	0.2843	0.2843
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.2983	0.3702
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0714	0.0714
Entamoeba histolytica	multidrug resistance protein, putative	0.0066	0.7847	0.9757
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0714	0.0714
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0029	0.2983	1
Brugia malayi	ABC transporter family protein	0.0029	0.2983	0.2983
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0066	0.7847	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0714	0.0714
Brugia malayi	nuclear hormone receptor	0.0011	0.0714	0.0714
Echinococcus granulosus	multidrug resistance associated protein 1	0.0066	0.7847	0.7847
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0066	0.7847	0.9757
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0066	0.7847	0.9757
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0066	0.7847	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0067	0.8042	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0029	0.2983	0.2983
Echinococcus granulosus	ATP binding cassette sub family G	0.0006	0.0009	0.0009
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0067	0.8042	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0714	0.0714
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0067	0.8042	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0714	0.0714
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0066	0.7847	0.7847
Toxoplasma gondii	ABC transporter, putative	0.0029	0.2983	0.3702
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0066	0.7847	0.9757
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0029	0.2983	0.3702
Echinococcus granulosus	ATP binding cassette sub family G	0.0006	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0067	0.8042	0.8042
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0038	0.4204	0.4204
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0066	0.7847	0.9757
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0714	0.0714
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0067	0.8042	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.1025	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0714	0.0714
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0067	0.8042	1
Plasmodium falciparum	multidrug resistance protein 1	0.0067	0.8042	1
Schistosoma mansoni	multidrug resistance protein	0.0066	0.7847	0.7847
Echinococcus multilocularis	ATP binding cassette sub family G	0.0006	0.0009	0.0009
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0067	0.8042	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0014	0.1025	0.1025
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0067	0.8042	1
Schistosoma mansoni	multidrug resistance protein	0.0066	0.7847	0.7847
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0029	0.2983	0.2983
Trichomonas vaginalis	ABC transporter, putative	0.0067	0.8042	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0029	0.2983	0.2983
Entamoeba histolytica	P-glycoprotein 5, putative	0.0028	0.2843	0.3529
Trichomonas vaginalis	abcb9, putative	0.0067	0.8042	1
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0714	0.0714
Onchocerca volvulus		0.0014	0.1025	0.0425
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0714	0.0714
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0714	0.0714
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0066	0.7847	0.9757
Trichomonas vaginalis	ABC transporter, putative	0.0067	0.8042	1
Onchocerca volvulus		0.0014	0.1025	0.0425
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0029	0.2983	0.3702
Schistosoma mansoni	multidrug resistance protein	0.0066	0.7847	0.7847
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0714	0.0714
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0029	0.2983	0.3702
Echinococcus granulosus	multidrug resistance protein 1	0.0067	0.8042	0.8042
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0067	0.8042	1
Brugia malayi	ABC transporter	0.0029	0.2983	0.2983
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0028	0.2843	0.2591
Brugia malayi	ABC transporter transmembrane region family protein	0.0066	0.7847	0.7847
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0067	0.8042	1
Brugia malayi	multidrug resistance protein 3	0.0067	0.8042	0.8042
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0067	0.8042	1
Schistosoma mansoni	acetylcholinesterase	0.0014	0.1025	0.1025
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0714	0.0714
Echinococcus multilocularis	ATP binding cassette sub family B	0.0029	0.2983	0.2983
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0029	0.2983	0.3702
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0714	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1025	0.1025
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0028	0.2843	0.2843
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0067	0.8042	1
Onchocerca volvulus		0.0067	0.8042	1
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0029	0.2983	0.3702
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0067	0.8042	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.2843	0.2843
Giardia lamblia	Multidrug resistance-associated protein 1	0.0066	0.7847	1
Schistosoma mansoni	hypothetical protein	0.0041	0.4587	0.4587
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0067	0.8042	0.8042
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0029	0.2983	0.3702
Entamoeba histolytica	hypothetical protein	0.0041	0.4587	0.5699
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0067	0.8042	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0714	0.0714
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0714	0.0714
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0714	0.0714
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0066	0.7903	0.7903
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0029	0.2983	0.3702
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0714	0.0714
Leishmania major	p-glycoprotein	0.0067	0.8042	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0067	0.8042	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0014	0.1025	0.3418
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0067	0.8042	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0067	0.8042	0.8042
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0029	0.2983	0.5
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0029	0.2983	0.279
Schistosoma mansoni	multidrug resistance protein	0.0029	0.2983	0.2983
Brugia malayi	ABC transporter transmembrane region family protein	0.0029	0.2983	0.2983
Brugia malayi	Carboxylesterase family protein	0.0014	0.1025	0.1025
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.2983	0.3702
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1025	0.1025
Entamoeba histolytica	P-glycoprotein-2	0.0067	0.8042	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0006	0.0009	0.0009
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0714	0.0714
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0067	0.8042	1
Entamoeba histolytica	hypothetical protein	0.0066	0.7847	0.9757
Brugia malayi	ABC transporter transmembrane region family protein	0.0028	0.2843	0.2843
Echinococcus granulosus	BC026374 protein S09 family	0.0014	0.1025	0.1025
Echinococcus multilocularis	ATP binding cassette sub family G	0.0006	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1025	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1025	0.1025
Entamoeba histolytica	hypothetical protein	0.0041	0.4587	0.5699
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.4587	0.4587
Entamoeba histolytica	P-glycoprotein-2	0.0067	0.8042	1
Trichomonas vaginalis	ABC transporter, putative	0.0067	0.8042	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0067	0.8042	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0714	0.0714
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.2983	0.3702
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0039	0.4399	0.4809
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.1025	0.1025
Entamoeba histolytica	ABC transporter, putative	0.0066	0.7847	0.9757
Echinococcus granulosus	multidrug resistance associated protein 7	0.0066	0.7847	0.7847
Echinococcus multilocularis		0.0029	0.2983	0.2983
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0714	0.0714
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0067	0.8042	0.8042
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0067	0.8042	0.8042
Echinococcus granulosus	multidrug resistance protein 1	0.0067	0.8042	0.8042
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0714	0.0714
Loa Loa (eye worm)	carboxylesterase	0.0014	0.1025	0.1025
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0067	0.8042	1
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.4587	0.4587
Trypanosoma brucei	multidrug resistance protein E	0.0066	0.7847	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.7847	0.7847
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0714	0.0714
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0066	0.7847	0.7847
Entamoeba histolytica	P-glycoprotein 6, putative	0.0029	0.2983	0.3702
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0029	0.2983	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1025	0.1025
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0029	0.2983	0.3702
Giardia lamblia	Multidrug resistance-associated protein 1	0.0064	0.7707	0.9721
Schistosoma mansoni	multidrug resistance protein	0.0067	0.8042	0.8042
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.2843	0.2591
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0066	0.7847	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0714	0.0714
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0028	0.2843	0.2591
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0029	0.2983	0.3794
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0714	0.0714
Leishmania major	ABC-thiol transporter	0.0066	0.7847	0.9757
Brugia malayi	Carboxylesterase family protein	0.0014	0.1025	0.1025
Entamoeba histolytica	P-glycoprotein-1	0.0067	0.8042	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0028	0.2843	0.3529
Loa Loa (eye worm)	ABC transporter	0.0029	0.2983	0.2983
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0714	0.0714
Trichomonas vaginalis	abcb9, putative	0.0067	0.8042	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0714	0.0714
Onchocerca volvulus		0.0014	0.1025	0.0425
Echinococcus granulosus	para nitrobenzyl esterase	0.0014	0.1025	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0029	0.2983	0.2983
Echinococcus multilocularis	ATP binding cassette sub family B	0.0066	0.7903	0.7903
Giardia lamblia	Multidrug resistance-associated protein 1	0.0066	0.7847	1
Trichomonas vaginalis	abcb9, putative	0.0067	0.8042	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0714	0.0714
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0714	0.0714
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0067	0.8042	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.8042	0.8042
Brugia malayi	ABC transporter	0.0028	0.2843	0.2843
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0714	0.0714
Schistosoma mansoni	multidrug resistance protein	0.0028	0.2843	0.2843
Loa Loa (eye worm)	hypothetical protein	0.0066	0.7903	0.7903

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 17.4 uM	Inhibition of bovine AChE after 120 mins by Ellman's method	ChEMBL.	23151013
IC50 (binding)	= 372 uM	Inhibition of equine BuChE after 120 mins by Ellman's method	ChEMBL.	23151013

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: CHEMBL2177111

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1722116