TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 398.472 | Formula: C23H28NO5+
H donors: 2 H acceptors: 2 LogP: 2.48 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)CC[NH2+]C[C@H](COC1=CC=CC2C1=CC=CC2=O)O
InChi: 1S/C23H27NO5/c1-27-22-10-9-16(13-23(22)28-2)11-12-24-14-17(25)15-29-21-8-4-5-18-19(21)6-3-7-20(18)26/h3-10,13,17-18,24-25H,11-12,14-15H2,1-2H3/p+1/t17-,18?/m0/s1
InChiKey: UZPFZRQFSDUAGH-ZENAZSQFSA-O

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	aldehyde dehydrogenase mitochondrial	0.007	0.039	0.039
Loa Loa (eye worm)	hypothetical protein	0.024	0.1597	0.1597
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0025	0.0069	0.0431
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0087	0.4842
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.0016	0.0016
Schistosoma mansoni	gliotactin	0.024	0.1597	0.1597
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0266	0.0266
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0248	0.0248
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0063	0.034	0.034
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0045	0.0045
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0045	0.0045
Onchocerca volvulus		0.024	0.1597	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.024	0.1597	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0045	0.0045
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0248	0.0248
Brugia malayi	MH1 domain containing protein	0.0018	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0087	0.0087
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0045	0.0045
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0248	0.0248
Echinococcus granulosus	mothers against decapentaplegic 5	0.0018	0.0016	0.0016
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.039	0.2441
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0045	0.0045
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0069	0.0069
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0045	0.0045
Echinococcus multilocularis	ubiquitin specific protease 41	0.0041	0.018	0.018
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0045	0.0045
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0063	0.034	0.2128
Schistosoma mansoni	hypothetical protein	0.0186	0.1215	0.1215
Echinococcus granulosus	para nitrobenzyl esterase	0.024	0.1597	0.1597
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0045	0.0045
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0087	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.1421	1	1
Schistosoma mansoni	hypothetical protein	0.0053	0.0266	0.0266
Brugia malayi	Carboxylesterase family protein	0.024	0.1597	0.1597
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0045	0.0045
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0045	0.0045
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0045	0.0045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0045	0.0045
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0016	0.0016
Onchocerca volvulus	Huntingtin homolog	0.0132	0.0826	0.5029
Loa Loa (eye worm)	carboxylesterase	0.024	0.1597	0.1597
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.039	0.2441
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0063	0.034	0.034
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0248	0.0248
Echinococcus granulosus	geminin	0.0186	0.1215	0.1215
Brugia malayi	hypothetical protein	0.0018	0.0017	0.0017
Brugia malayi	Carboxylesterase family protein	0.024	0.1597	0.1597
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0266	0.0266
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0063	0.034	0.2128
Echinococcus multilocularis	carboxylesterase 5A	0.1421	1	1
Onchocerca volvulus		0.024	0.1597	1
Brugia malayi	Smad1	0.0018	0.0016	0.0016
Echinococcus granulosus	acetylcholinesterase	0.1421	1	1
Echinococcus granulosus	ubiquitin specific protease 41	0.0041	0.018	0.018
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0041	0.018	0.018
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0063	0.034	0.8717
Echinococcus granulosus	BC026374 protein S09 family	0.024	0.1597	0.1597
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0045	0.0045
Trypanosoma cruzi	cytochrome P450, putative	0.0025	0.0069	0.3839
Loa Loa (eye worm)	MH2 domain-containing protein	0.0263	0.1762	0.1762
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0045	0.0045
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0018	0.0016	0.0016
Brugia malayi	hypothetical protein	0.0132	0.0826	0.0826
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1277	0.1277
Mycobacterium ulcerans	carboxylesterase, LipT	0.024	0.1597	1
Echinococcus multilocularis	acetylcholinesterase	0.1421	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.039	0.2441
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0045	0.0045
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0045	0.0045
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.024	0.1597	0.1597
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.0016	0.0016
Echinococcus multilocularis	neuroligin	0.024	0.1597	0.1597
Loa Loa (eye worm)	hypothetical protein	0.024	0.1597	0.1597
Echinococcus granulosus	smad	0.0018	0.0016	0.0016
Schistosoma mansoni	Smad4	0.0018	0.0016	0.0016
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0045	0.0045
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0045	0.0045
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0041	0.018	0.4604
Loa Loa (eye worm)	hypothetical protein	0.024	0.1597	0.1597
Brugia malayi	MH2 domain containing protein	0.0018	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0045	0.0045
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0045	0.0045
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0045	0.0045
Echinococcus multilocularis	geminin	0.0186	0.1215	0.1215
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0045	0.0045
Onchocerca volvulus		0.024	0.1597	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0069	0.0069
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0248	0.0248
Brugia malayi	MH2 domain containing protein	0.0263	0.1762	0.1762
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0045	0.0045
Brugia malayi	MH1 domain containing protein	0.0018	0.0016	0.0016
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0045	0.0045
Echinococcus multilocularis	survival motor neuron protein 1	0.026	0.174	0.174
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.039	0.2441
Loa Loa (eye worm)	cytochrome P450 family protein	0.0058	0.03	0.03
Mycobacterium tuberculosis	Carboxylesterase LipT	0.024	0.1597	1
Loa Loa (eye worm)	carboxylesterase	0.1421	1	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.024	0.1597	0.1597
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0045	0.0045
Loa Loa (eye worm)	carboxylesterase	0.024	0.1597	0.1597
Echinococcus granulosus	carboxylesterase 5A	0.1421	1	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0018	0.0016	0.0016
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0045	0.0045
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0059	0.0309	0.0309
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0045	0.0045
Onchocerca volvulus		0.024	0.1597	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0041	0.018	1
Leishmania major	cytochrome p450-like protein	0.0025	0.0069	0.1767
Echinococcus multilocularis	smad	0.0018	0.0016	0.0016
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0045	0.0045
Onchocerca volvulus		0.024	0.1597	1
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0041	0.018	0.018
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0041	0.018	0.018
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0069	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0041	0.018	0.018
Brugia malayi	Carboxylesterase family protein	0.1421	1	1
Brugia malayi	hypothetical protein	0.0028	0.0087	0.0087
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0045	0.0045
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.024	0.1597	0.1597
Brugia malayi	hypothetical protein	0.026	0.174	0.174
Brugia malayi	MH2 domain containing protein	0.0018	0.0016	0.0016
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0045	0.0045
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.024	0.1597	0.1597
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0087	0.4842
Loa Loa (eye worm)	hypothetical protein	0.024	0.1597	0.1597
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0045	0.0045
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0041	0.018	0.018
Echinococcus multilocularis	Smad4	0.0018	0.0016	0.0016
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0041	0.018	0.018
Schistosoma mansoni	BC026374 protein (S09 family)	0.024	0.1597	0.1597
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0045	0.0045
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.0016	0.0016
Mycobacterium leprae	Conserved hypothetical protein	0.0016	0	0.5
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0041	0.018	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0045	0.0045
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0045	0.0045
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0041	0.018	1
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0045	0.0045
Trypanosoma cruzi	cytochrome P450, putative	0.0025	0.0069	0.3839
Loa Loa (eye worm)	CYP4Cod1	0.0025	0.0069	0.0069
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0069	0.0069
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.039	1
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.0195	0.1277	0.1277
Schistosoma mansoni	hypothetical protein	0.0186	0.1215	0.1215
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0045	0.0045
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0063	0.034	0.034
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0826	0.0826
Schistosoma mansoni	smad	0.0018	0.0016	0.0016
Schistosoma mansoni	coup transcription factor	0.0022	0.0045	0.0045
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.024	0.1597	1
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0045	0.0045
Mycobacterium leprae	putative cytochrome p450	0.0016	0	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0248	0.0248
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0041	0.018	0.018
Brugia malayi	ecdysteroid receptor	0.0022	0.0045	0.0045
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.024	0.1597	0.1597
Brugia malayi	Carboxylesterase family protein	0.024	0.1597	0.1597
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0045	0.0045
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0045	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.026	0.174	0.174
Brugia malayi	nuclear hormone receptor	0.0022	0.0045	0.0045
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0045	0.0045
Trichomonas vaginalis	spcc417.12 protein, putative	0.024	0.1597	1
Onchocerca volvulus		0.0053	0.0266	0.1425
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0248	0.0248
Echinococcus multilocularis	acetylcholinesterase	0.1421	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0087	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0045	0.0045
Onchocerca volvulus	Huntingtin homolog	0.0132	0.0826	0.5029
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0826	0.0826
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0045	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0045	0.0045
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0045	0.0045
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0041	0.018	0.5
Echinococcus granulosus	Smad4	0.0018	0.0016	0.0016
Brugia malayi	steroid hormone receptor	0.0022	0.0045	0.0045
Schistosoma mansoni	acetylcholinesterase	0.024	0.1597	0.1597
Loa Loa (eye worm)	hypothetical protein	0.024	0.1597	0.1597
Loa Loa (eye worm)	acetylcholinesterase 1	0.1421	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0087	0.4842
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.1421	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.024	0.1597	0.1597
Echinococcus granulosus	survival motor neuron protein 1	0.026	0.174	0.174
Loa Loa (eye worm)	Smad1	0.0018	0.0016	0.0016
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.039	0.039
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0063	0.034	0.2128
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.039	1
Trichomonas vaginalis	conserved hypothetical protein	0.019	0.1239	0.7475
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.024	0.1597	1
Leishmania major	hypothetical protein, conserved	0.0028	0.0087	0.2229
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0041	0.018	0.018
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0087	0.2229
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0045	0.0045
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0087	0.5
Loa Loa (eye worm)	hypothetical protein	0.024	0.1597	0.1597
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0041	0.018	1
Brugia malayi	Cytochrome P450 family protein	0.0058	0.03	0.03
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0248	0.0248
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0045	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0045	0.0045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0045	0.0045
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0045	0.0045
Echinococcus multilocularis	para nitrobenzyl esterase	0.024	0.1597	0.1597
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.024	0.1597	0.1597
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0045	0.0045
Echinococcus granulosus	neuroligin	0.024	0.1597	0.1597
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0045	0.0045
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0016	0.0016
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1421	1	1
Brugia malayi	hypothetical protein	0.024	0.1597	0.1597
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.039	0.039
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0045	0.0045
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0045	0.0045
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0045	0.0045
Loa Loa (eye worm)	transcription factor SMAD2	0.0263	0.1762	0.1762
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0045	0.0045
Brugia malayi	Carboxylesterase family protein	0.024	0.1597	0.1597
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0045	0.0045
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0018	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.024	0.1597	0.1597
Trypanosoma brucei	cytochrome P450, putative	0.0025	0.0069	0.3839
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0045	0.0045
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.039	0.039
Echinococcus granulosus	acetylcholinesterase	0.1421	1	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0063	0.034	0.034
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0016	0.0016

Activities

Activity type	Activity value	Assay description	Source	Reference
Delta G (binding)	= -11.35	Free energy of binding to turkey erythrocyte beta receptor	ChEMBL.	3005570

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: 258932

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 159242