TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 503.671 | Formula: C29H45NO6
H donors: 1 H acceptors: 4 LogP: 3.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: CC(=O)OCC(=O)[C@@H]1CCC2[C@@]1(C)CC(=O)C1C2CC[C@H]2[C@@]1(C)C[C@H]([C@@H](C2)O)N1CCOC(C1)(C)C
InChi: 1S/C29H45NO6/c1-17(31)35-15-25(34)21-9-8-20-19-7-6-18-12-23(32)22(30-10-11-36-27(2,3)16-30)13-28(18,4)26(19)24(33)14-29(20,21)5/h18-23,26,32H,6-16H2,1-5H3/t18-,19?,20?,21+,22-,23-,26?,28-,29-/m0/s1
InChiKey: ACFYBJGWEVKCMA-KWSLMYOJSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0029	0.001	0.0159
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0007	0.0096
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0044	0.0019	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0023	0.0007	0.0494
Schistosoma mansoni	DNA polymerase eta	0.0052	0.0024	0.0881
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0023	0.0007	0.0106
Brugia malayi	excitatory GABA receptor EXP-1A	0.0023	0.0007	0.0494
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0007	0.0096
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0006	0.3078
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0007	0.078
Loa Loa (eye worm)	ACC-1 protein	0.0023	0.0007	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Echinococcus granulosus	glycine receptor subunit beta	0.0023	0.0007	0.0097
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0023	0.0007	0.0097
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.0001	0.0022
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0023	0.0007	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0082	0.6653
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0011	0.082
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0006	0.3078
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0007	0.3457
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0019	0.0703
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.0007	0.0494
Loa Loa (eye worm)	MH2 domain-containing protein	0.0141	0.0075	0.6125
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Echinococcus multilocularis	glycine receptor subunit beta	0.0023	0.0007	0.0097
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0006	0.3078
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0095	0.0048	0.3904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Echinococcus granulosus	nAChR subunit	0.0023	0.0007	0.0097
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0223	0.0123	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0014	0.0001	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0006	0.3078
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.0034	0.3245
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0023	0.0007	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0023	0.0007	0.0494
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0013	0.0001	0.001
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0023	0.0007	0.0494
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0007	0.0486
Schistosoma mansoni	hypothetical protein	0.0071	0.0034	0.1282
Onchocerca volvulus		0.0023	0.0007	0.0978
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0071	0.0034	0.277
Schistosoma mansoni	nAChR subunit	0.0023	0.0007	0.0246
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.0007	0.0494
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0025	0.1991
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0007	0.1209
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0023	0.0007	0.0246
Entamoeba histolytica	hypothetical protein	0.0042	0.0018	0.9488
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0034	0.277
Schistosoma mansoni	hypothetical protein	0.0013	0.0001	0.0045
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0019	0.7738
Schistosoma mansoni	hypothetical protein	0.0071	0.0034	0.1282
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Trypanosoma cruzi	DNA polymerase eta, putative	0.0037	0.0015	0.5407
Leishmania major	hypothetical protein, conserved	0.0029	0.0011	0.2133
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0023	0.0007	0.0097
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0071	0.0034	0.0545
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0023	0.0007	0.0246
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0007	0.1209
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0034	0.128
Loa Loa (eye worm)	LGC-31 protein	0.0023	0.0007	0.0494
Schistosoma mansoni	nAChR subunit	0.0023	0.0007	0.0246
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0039	0.0016	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0006	0.3078
Brugia malayi	hypothetical protein	0.0042	0.0018	0.1417
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0018	0.0004	0.3926
Brugia malayi	hypothetical protein	0.0029	0.0011	0.082
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0023	0.0007	0.0494
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0011	0.0692
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0006	0.3078
Loa Loa (eye worm)	hypothetical protein	0.0028	0.001	0.0752
Mycobacterium ulcerans	histidinol dehydrogenase	1.7266	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0034	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0062	0.505
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0024	0.1888
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0023	0.0007	0.0246
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0007	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	0.0034	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0023	0.0007	0.0097
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0044	0.0019	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.1084	0.0622	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0034	0.128
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0018	0.0004	0.079
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0023	0.0007	0.0097
Echinococcus multilocularis	dnaJ subfamily B	0.0475	0.0269	0.4316
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0023	0.0007	0.0097
Echinococcus multilocularis	GPCR, family 2	0.0071	0.0034	0.0545
Onchocerca volvulus	Putative nachr subunit	0.0023	0.0007	0.0978
Echinococcus multilocularis	neuropeptide s receptor	0.1084	0.0622	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0012	0.0001	0.0022
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0023	0.0007	0.0097
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.0007	0.0494
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0071	0.0034	0.277
Echinococcus multilocularis	inositol monophosphatase 1	0.0044	0.0019	0.0294
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0025	0.1991
Schistosoma mansoni	intermediate filament proteins	0.0058	0.0027	0.1011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0025	0.0927
Schistosoma mansoni	lamin	0.0058	0.0027	0.1011
Schistosoma mansoni	hypothetical protein	0.0153	0.0082	0.3048
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0062	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0023	0.0007	0.0097
Loa Loa (eye worm)	histone methyltransferase	0.0029	0.001	0.081
Trypanosoma brucei	DNA polymerase eta, putative	0.0052	0.0024	1
Onchocerca volvulus		0.0023	0.0007	0.0978
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0023	0.0007	0.0097
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0023	0.0007	0.0097
Schistosoma mansoni	cpg binding protein	0.01	0.0051	0.1914
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.0007	0.0494
Echinococcus granulosus	GPCR family 2	0.0071	0.0034	0.0545
Schistosoma mansoni	nAChR subunit	0.0023	0.0007	0.0246
Loa Loa (eye worm)	ACC-1 protein	0.0023	0.0007	0.0494
Brugia malayi	Latrophilin receptor protein 2	0.0071	0.0034	0.277
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Mycobacterium tuberculosis	Probable histidinol dehydrogenase HisD (HDH)	1.7266	1	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0023	0.0007	0.0097
Schistosoma mansoni	nAChR subunit	0.0023	0.0007	0.0246
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0007	0.3388
Trypanosoma brucei	unspecified product	0.0022	0.0007	0.1904
Brugia malayi	F/Y-rich N-terminus family protein	0.0029	0.001	0.0792
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Schistosoma mansoni	nAChR subunit	0.0023	0.0007	0.0246
Echinococcus multilocularis	nAChR subunit	0.0023	0.0007	0.0097
Schistosoma mansoni	hypothetical protein	0.0071	0.0034	0.1282
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0006	0.3078
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0023	0.0007	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0004	0.0293
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0006	0.3078
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0023	0.0007	0.0246
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0009	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0027	0.2176
Echinococcus granulosus	neuropeptide receptor A26	0.1084	0.0622	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0058	0.0027	0.2176
Brugia malayi	Cation transporter family protein	0.0023	0.0007	0.0494
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0007	0.1904
Brugia malayi	Intermediate filament tail domain containing protein	0.0058	0.0027	0.2176
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0027	0.2125
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.02	0.011	0.4083
Onchocerca volvulus		0.0058	0.0027	0.4308
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0023	0.0007	0.0494
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0019	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0007	0.0486
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0023	0.0007	0.0494
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Entamoeba histolytica	hypothetical protein	0.0012	0.0001	0.0311
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0007	0.078
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0019	0.7544
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0007	0.1209
Echinococcus multilocularis	musashi	0.0058	0.0027	0.0428
Echinococcus multilocularis	cpg binding protein	0.01	0.0051	0.0818
Onchocerca volvulus		0.0095	0.0048	0.7732
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Echinococcus granulosus	lamin dm0	0.0058	0.0027	0.0428
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0023	0.0007	0.0494
Brugia malayi	Cation transporter family protein	0.0023	0.0007	0.0494
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.0007	0.0494
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0023	0.0007	0.0106
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0223	0.0123	1
Trichomonas vaginalis	helicase, putative	0.0021	0.0006	0.3078
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0071	0.0034	0.0545
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0011	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0011	0.3306
Entamoeba histolytica	hypothetical protein	0.0042	0.0018	0.9488
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0023	0.0007	0.0494
Schistosoma mansoni	hypothetical protein	0.0071	0.0034	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Schistosoma mansoni	cpg binding protein	0.0095	0.0048	0.1798
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0023	0.0007	0.0494
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0019	0.4867
Brugia malayi	intermediate filament protein	0.0058	0.0027	0.2176
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0023	0.0007	0.0097
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0007	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0007	0.0002
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0023	0.0007	0.0097
Loa Loa (eye worm)	inositol-1	0.0044	0.0019	0.1497
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0025	0.0927
Onchocerca volvulus		0.0023	0.0007	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0011	1
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0012	0.0001	0.0022
Schistosoma mansoni	hypothetical protein	0.0475	0.0269	1
Onchocerca volvulus		0.0058	0.0027	0.4308
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0018	0.0279
Echinococcus multilocularis	dna polymerase eta	0.0052	0.0024	0.0371
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0023	0.0007	0.0494
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0011	1
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0019	0.0703
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0023	0.0007	0.0097
Echinococcus multilocularis	lamin	0.0058	0.0027	0.0428
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0031	0.0012	0.0898
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0004	0.0058
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0023	0.0007	0.0246
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0004	0.0058
Brugia malayi	hypothetical protein	0.0119	0.0062	0.505
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.0034	0.0544
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0006	0.3078
Echinococcus granulosus	dnaJ subfamily B	0.0475	0.0269	0.4316
Entamoeba histolytica	hypothetical protein	0.0042	0.0018	0.9488
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Echinococcus granulosus	intermediate filament protein	0.0058	0.0027	0.0428
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0023	0.0007	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Trichomonas vaginalis	inositol monophosphatase, putative	0.0044	0.0019	1
Schistosoma mansoni	lamin	0.0058	0.0027	0.1011
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0034	0.0028
Schistosoma mansoni	hypothetical protein	0.0042	0.0018	0.0667
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0223	0.0123	1
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0006	0.3078
Brugia malayi	ImpB/MucB/SamB family protein	0.0052	0.0024	0.1888
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Brugia malayi	MH2 domain containing protein	0.0141	0.0075	0.6125
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0025	0.0392
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0025	0.0927
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0023	0.0007	0.0246
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	0.0034	0.003
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0028	0.001	0.0148
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0179	0.0097	1
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0062	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0021	0.0006	0.3078
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0062	0.505
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0044	0.0019	0.158
Schistosoma mansoni	nAChR subunit	0.0023	0.0007	0.0246
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0011	0.3835
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0013	0.0001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0009	0.0701
Schistosoma mansoni	nAChR subunit	0.0023	0.0007	0.0246
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0004	0.0058
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0023	0.0007	0.0494
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0004	0.0293
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0011	0.3306
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0023	0.0007	0.0494
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0018	0.0279
Brugia malayi	Cation transporter family protein	0.0023	0.0007	0.0494
Echinococcus granulosus	lamin	0.0058	0.0027	0.0428
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0037	0.0015	0.1132
Onchocerca volvulus		0.0023	0.0007	0.0978
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0007	0.1209
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0007	0.1904
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0007	0.0243
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0023	0.0007	0.0494
Echinococcus granulosus	neuropeptide s receptor	0.1084	0.0622	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0018	0.9488
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.0007	0.0002
Brugia malayi	Inositol-1	0.0044	0.0019	0.1497
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0006	0.3078
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0025	0.0392
Brugia malayi	latrophilin 2 splice variant baaae	0.0153	0.0082	0.6653
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0071	0.0034	0.0545
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0018	0.0667
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Echinococcus multilocularis	glycine receptor subunit beta	0.0023	0.0007	0.0097
Echinococcus granulosus	inositol monophosphatase 1	0.0044	0.0019	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0006	0.3078
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0023	0.0007	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0029	0.001	0.0159
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0021	0.0006	0.3078
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0007	0.0243
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0023	0.0007	0.0106
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0007	0.1904
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0023	0.0007	0.0097
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0023	0.0007	0.0097
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.0007	0.0494
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0028	0.001	0.0148
Brugia malayi	hypothetical protein	0.0019	0.0005	0.0325
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0019	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0023	0.0007	0.0097
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0023	0.0007	0.0494
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0023	0.0007	0.0494
Leishmania major	DNA polymerase eta, putative	0.0052	0.0024	0.6452
Brugia malayi	CXXC zinc finger family protein	0.0095	0.0048	0.3904
Echinococcus granulosus	cpg binding protein	0.01	0.0051	0.0818
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0007	0.0096
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0025	0.0392
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0004	0.0058
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0004	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0223	0.0123	1
Leishmania major	DNA polymerase eta, putative	0.0037	0.0015	0.3489
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0007	0.0494
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0004	0.079
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0004	0.0058
Loa Loa (eye worm)	intermediate filament protein	0.0058	0.0027	0.2176
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0007	0.0096
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0034	0.0028
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0044	0.0019	0.0012
Brugia malayi	cytoplasmic intermediate filament protein	0.0031	0.0012	0.0898
Trypanosoma cruzi	DNA polymerase eta, putative	0.0052	0.0024	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.0034	0.0544
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0025	0.0392
Echinococcus granulosus	glycine receptor subunit beta	0.0023	0.0007	0.0097
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0004	0.0155
Echinococcus granulosus	dna polymerase eta	0.0052	0.0024	0.0371
Onchocerca volvulus		0.0023	0.0007	0.0978
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0023	0.0007	0.0097
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0006	0.3078
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0007	0.3388
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0071	0.0034	0.0545
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0023	0.0007	0.0266
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0004	0.0293
Onchocerca volvulus		0.0023	0.0007	0.0978
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0948	0.0543	0.8728
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0019	0.7544
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0006	0.3078
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0023	0.0007	0.0494
Echinococcus multilocularis	lamin dm0	0.0058	0.0027	0.0428
Schistosoma mansoni	cpg binding protein	0.01	0.0051	0.1914
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0006	0.3078
Loa Loa (eye worm)	transcription factor SMAD2	0.0141	0.0075	0.6125

Activities

Activity type	Activity value	Assay description	Source	Reference
HD50 (functional)	= 21.1 uM kg-1	Hypnotic dose was determined by observing loss of righting reflex for a minimum period of 30 sec in 50% of treated mice after i.v. administration.	ChEMBL.	9171876
IC50 (binding)	= 951 nM	The concentration of the compound required to inhibit 50% of binding of [35S]-TBPS to Gamma-aminobutyric-acid A receptor to rat whole brain membranes.	ChEMBL.	9171876
POT (functional)	= 1300 nM	Concentration required to potentiate GABA-evoked currents in voltage-clamped bovine chromaffin cells by 300%	ChEMBL.	9171876

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: 168614

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 66711