TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 379.514 | Formula: C20H29NO4S
H donors: 2 H acceptors: 3 LogP: 3.66 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2NS(=O)(=O)C)C
InChi: 1S/C20H29NO4S/c1-20-9-8-13-14(16(20)6-7-19(20)21-26(3,23)24)5-4-12-10-17(22)18(25-2)11-15(12)13/h10-11,13-14,16,19,21-22H,4-9H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
InChiKey: MHOHISHFHDMHMU-BKRJIHRRSA-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
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0184	0.0184
Echinococcus granulosus	para nitrobenzyl esterase	0.0159	0.1557	0.1552
Onchocerca volvulus		0.0159	0.1557	0.8815
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0325	0.0239
Echinococcus multilocularis	microtubule associated protein 2	0.0669	0.705	0.7048
Brugia malayi	Carboxylesterase family protein	0.0159	0.1557	0.1536
Schistosoma mansoni	hypothetical protein	0.0117	0.1103	0.1024
Schistosoma mansoni	metabotropic glutamate receptor	0.0024	0.0105	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0299	0.0299
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0184	0.0184
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0218	0.0218
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0024	0.0105	0.0105
Echinococcus granulosus	nmda type glutamate receptor	0.0278	0.284	0.2835
Brugia malayi	Carboxylesterase family protein	0.0159	0.1557	0.1536
Echinococcus granulosus	lysosomal alpha glucosidase	0.0158	0.1543	0.1537
Trichomonas vaginalis	conserved hypothetical protein	0.0186	0.1845	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1557	0.1557
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0159	0.1557	0.1552
Schistosoma mansoni	hypothetical protein	0.0733	0.7748	0.7728
Loa Loa (eye worm)	glutamate receptor 2	0.0129	0.1233	0.1233
Onchocerca volvulus		0.0043	0.0299	0.1181
Schistosoma mansoni	glutamate receptor kainate	0.0129	0.1233	0.1155
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0038	0.0255	0.5237
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0024	0.0105	0.0098
Brugia malayi	Augmenter of liver regeneration	0.0038	0.0255	0.0231
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0218	0.5847
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0105
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0048	0.0356	0.035
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0105
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0038	0.0255	0.2132
Brugia malayi	metabotropic glutamate receptor type 2	0.0024	0.0105	0.008
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1557	0.1557
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0105
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0272	0.2771	1
Onchocerca volvulus		0.0159	0.1557	0.8815
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0392	1
Echinococcus granulosus	glutamate receptor 2	0.0106	0.0982	0.0976
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0024	0.0105	0.008
Echinococcus multilocularis	glutamate receptor 2	0.0106	0.0982	0.0976
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0299	0.0299
Brugia malayi	hypothetical protein	0.0024	0.0105	0.008
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0159	0.1557	0.1482
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0038	0.0255	0.5237
Schistosoma mansoni	ATP-binding cassette transporter	0.0129	0.1233	0.1155
Brugia malayi	CXXC zinc finger family protein	0.0034	0.0206	0.0182
Schistosoma mansoni	tyrosine kinase	0.0024	0.0105	0.0017
Echinococcus multilocularis	acetylcholinesterase	0.0942	1	1
Schistosoma mansoni	lamin	0.0032	0.0184	0.0097
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0099	0.0911	0.0905
Schistosoma mansoni	protein kinase	0.0024	0.0105	0.0017
Echinococcus multilocularis	cpg binding protein	0.0036	0.0227	0.0221
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0299	0.3199
Schistosoma mansoni	metabotropic glutamate receptor	0.0024	0.0105	0.0017
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0117	0.1103	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0299	0.0299
Echinococcus multilocularis	dnaJ subfamily B	0.0483	0.5051	0.5048
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0024	0.0105	0.0098
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0024	0.0105	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0265	0.27	0.27
Mycobacterium ulcerans	carboxylesterase, LipT	0.0159	0.1557	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0392	1
Brugia malayi	hypothetical protein	0.0043	0.0299	0.0275
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0299	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1441	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0299	0.0299
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0325	0.0319
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0066	0.0554	0.2065
Schistosoma mansoni	hypothetical protein	0.0253	0.2567	0.2501
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0024	0.0105	0.0105
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0307	0.3147	0.3143
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0299	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1557	0.1557
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0392	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0299	0.0213
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0088	0.0082
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0154	0.1497	0.1491
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0088	0.0082
Schistosoma mansoni	hypothetical protein	0.0483	0.5051	0.5007
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0038	0.0255	0.0249
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0392	1
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0048	0.0356	0.035
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0218	0.5847
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0299	0.0293
Schistosoma mansoni	BC026374 protein (S09 family)	0.0159	0.1557	0.1482
Echinococcus granulosus	intermediate filament protein	0.0032	0.0184	0.0178
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.0911	0.083
Onchocerca volvulus		0.0159	0.1557	0.8815
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0024	0.0105	0.0098
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0325	0.0301
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0159	0.1557	0.1552
Echinococcus granulosus	nmda type glutamate receptor	0.0301	0.3091	0.3087
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0048	0.0356	0.035
Echinococcus granulosus	BC026374 protein S09 family	0.0159	0.1557	0.1552
Schistosoma mansoni	glutamate receptor NMDA	0.0407	0.4232	0.4181
Echinococcus multilocularis	neuroligin	0.0159	0.1557	0.1552
Echinococcus granulosus	acetylcholinesterase	0.0942	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0325	0.0319
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0066	0.0554	0.047
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0024	0.0105	0.0098
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0038	0.0255	0.0249
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.0191	0.1901	0.1881
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0105
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0392	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0154	0.1497	0.1491
Schistosoma mansoni	tyrosine kinase	0.0024	0.0105	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0299	0.0299
Loa Loa (eye worm)	carboxylesterase	0.0159	0.1557	0.1557
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0154	0.1497	0.1491
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0034	0.0206	0.0206
Echinococcus granulosus	lamin dm0	0.0032	0.0184	0.0178
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0325	0.0325
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0154	0.1497	0.1491
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0048	0.0356	0.035
Schistosoma mansoni	gliotactin	0.0159	0.1557	0.1482
Onchocerca volvulus		0.0043	0.0299	0.1181
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0117	0.1103	0.1081
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0159	0.1557	0.5089
Echinococcus multilocularis	tyrosine kinase	0.0024	0.0105	0.0098
Onchocerca volvulus		0.0159	0.1557	0.8815
Echinococcus multilocularis	lamin	0.0032	0.0184	0.0178
Schistosoma mansoni	acetylcholinesterase	0.0159	0.1557	0.1482
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0064	0.0534	0.4557
Schistosoma mansoni	glutamate receptor NMDA	0.0307	0.3147	0.3087
Echinococcus multilocularis	geminin	0.0733	0.7748	0.7747
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1752	0.1752
Onchocerca volvulus		0.0032	0.0184	0.0482
Schistosoma mansoni	glutamate receptor kainate	0.0129	0.1233	0.1155
Onchocerca volvulus		0.0091	0.0825	0.4372
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0105
Brugia malayi	intermediate filament protein	0.0032	0.0184	0.016
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0299	0.0498
Onchocerca volvulus		0.0032	0.0184	0.0482
Echinococcus granulosus	tyrosine kinase	0.0024	0.0105	0.0098
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0218	0.3946
Echinococcus granulosus	cpg binding protein	0.0036	0.0227	0.0221
Schistosoma mansoni	survival motor neuron protein	0.0054	0.0424	0.0339
Echinococcus granulosus	carboxylesterase 5A	0.0942	1	1
Onchocerca volvulus		0.0034	0.0206	0.0618
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.0911	0.083
Leishmania major	hypothetical protein, conserved	0.0043	0.0299	0.6761
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0218	0.0212
Echinococcus multilocularis	glutamate receptor 2	0.0129	0.1233	0.1227
Echinococcus granulosus	survival motor neuron protein 1	0.0265	0.27	0.2695
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0299	0.0299
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.1543	0.1537
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0099	0.0911	0.0905
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0024	0.0105	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0253	0.2567	0.2567
Echinococcus granulosus	geminin	0.0733	0.7748	0.7747
Echinococcus multilocularis	nmda type glutamate receptor	0.0278	0.284	0.2835
Toxoplasma gondii	Erv1 / Alr family protein	0.0038	0.0255	0.0537
Schistosoma mansoni	hypothetical protein	0.0048	0.0356	0.027
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0159	0.1557	0.5089
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0024	0.0105	0.0098
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0218	0.3946
Brugia malayi	Guanylyl cyclase protein 23	0.0024	0.0105	0.008
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0159	0.1557	0.1482
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0184	0.016
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0048	0.0356	0.035
Echinococcus multilocularis	glutamate receptor 2	0.0154	0.1497	0.1491
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0159	0.1557	0.1482
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0006	0.0006
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0307	0.3147	0.3143
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0299	0.0498
Loa Loa (eye worm)	acetylcholinesterase 1	0.0942	1	1
Echinococcus granulosus	neuroligin	0.0159	0.1557	0.1552
Toxoplasma gondii	Erv1 / Alr family protein	0.0038	0.0255	0.0537
Schistosoma mansoni	alpha-glucosidase	0.0136	0.1306	0.1228
Schistosoma mansoni	glutamate receptor AMPA	0.0129	0.1233	0.1155
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0392	1
Loa Loa (eye worm)	carboxylesterase	0.0159	0.1557	0.1557
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0554	0.0554
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0024	0.0105	0.0105
Loa Loa (eye worm)	glutamate receptor	0.0024	0.0105	0.0105
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0038	0.0255	0.5237
Echinococcus multilocularis	acetylcholinesterase	0.0942	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0105
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0299	0.4649
Schistosoma mansoni	alpha glucosidase	0.0035	0.0218	0.0131
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0299	0.0498
Entamoeba histolytica	hypothetical protein	0.0043	0.0299	1
Brugia malayi	Carboxylesterase family protein	0.0159	0.1557	0.1536
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0325	0.0319
Schistosoma mansoni	microtubule-associated protein tau	0.0669	0.705	0.7023
Brugia malayi	Glutamate receptor 2 precursor	0.0129	0.1233	0.1211
Brugia malayi	Cytochrome P450 family protein	0.0053	0.0417	0.0393
Schistosoma mansoni	hypothetical protein	0.0117	0.1103	0.1024
Brugia malayi	beta-lactamase family protein	0.0043	0.0299	0.0275
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0299	0.0293
Loa Loa (eye worm)	hepatopoietin HPO2	0.0038	0.0255	0.0255
Brugia malayi	Receptor family ligand binding region containing protein	0.0024	0.0105	0.008
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0159	0.1557	0.8231
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1901	0.1901
Schistosoma mansoni	intermediate filament proteins	0.0032	0.0184	0.0097
Echinococcus multilocularis	NMDA receptor	0.0048	0.0356	0.035
Echinococcus granulosus	acetylcholinesterase	0.0942	1	1
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0048	0.0356	0.035
Loa Loa (eye worm)	glutamate receptor 1	0.0129	0.1233	0.1233
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0299	0.0299
Schistosoma mansoni	hypothetical protein	0.0054	0.0424	0.0339
Echinococcus multilocularis	nmda type glutamate receptor	0.0301	0.3091	0.3087
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0154	0.1497	0.1491
Echinococcus granulosus	receptor type guanylyl cyclase	0.0024	0.0105	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0299	0.0299
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0218	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0105
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.0424	0.04
Echinococcus multilocularis	lamin dm0	0.0032	0.0184	0.0178
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0325	0.0239
Leishmania major	hypothetical protein, conserved	0.0038	0.0255	0.5237
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0117	0.1103	0.1103
Toxoplasma gondii	ABC1 family protein	0.0043	0.0299	0.117
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0158	0.1543	0.1522
Loa Loa (eye worm)	hypothetical protein	0.0942	1	1
Schistosoma mansoni	glutamate receptor kainate	0.0129	0.1233	0.1155
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0154	0.1497	0.1491
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0048	0.0356	0.035
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1557	0.1557
Brugia malayi	Receptor family ligand binding region containing protein	0.0024	0.0105	0.008
Onchocerca volvulus		0.0148	0.1441	0.8109
Echinococcus multilocularis	musashi	0.0032	0.0184	0.0178
Schistosoma mansoni	hypothetical protein	0.0733	0.7748	0.7728
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0942	1	1
Brugia malayi	Carboxylesterase family protein	0.0159	0.1557	0.1536
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1557	0.1557
Echinococcus multilocularis	GPCR, family 2	0.0117	0.1103	0.1097
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0299	0.0213
Brugia malayi	Carboxylesterase family protein	0.0942	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.037	0.3829	0.3814
Brugia malayi	Melibiase family protein	0.0066	0.0554	0.0531
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0299	0.6761
Brugia malayi	beta-lactamase family protein	0.0043	0.0299	0.0275
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0299	0.0293
Toxoplasma gondii	melibiase subfamily protein	0.0099	0.0911	1
Onchocerca volvulus		0.0043	0.0299	0.1181
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0299	0.0293
Schistosoma mansoni	hypothetical protein	0.0117	0.1103	0.1024
Trichomonas vaginalis	esterase, putative	0.0043	0.0299	0.0498
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0154	0.1497	0.1491
Brugia malayi	hypothetical protein	0.0148	0.1441	0.142
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0158	0.1543	0.1543
Loa Loa (eye worm)	carboxylesterase	0.0942	1	1
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0048	0.0356	0.035
Schistosoma mansoni	lamin	0.0032	0.0184	0.0097
Echinococcus granulosus	dnaJ subfamily B	0.0483	0.5051	0.5048
Brugia malayi	hypothetical protein	0.0265	0.27	0.2682
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0024	0.0105	0.008
Schistosoma mansoni	hypothetical protein	0.0117	0.1103	0.1024
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0024	0.0105	0.0105
Echinococcus multilocularis	carboxylesterase 5A	0.0942	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0053	0.0417	0.0417
Brugia malayi	hypothetical protein	0.0159	0.1557	0.1536
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0325	0.0239
Schistosoma mansoni	hypothetical protein	0.0043	0.0299	0.0213
Onchocerca volvulus		0.0054	0.0424	0.1937
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0299	0.6761
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0177	0.1752	1
Echinococcus granulosus	lamin	0.0032	0.0184	0.0178
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0159	0.1557	0.5089
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0392	0.0392
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0299	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0117	0.1103	0.1081
Loa Loa (eye worm)	hypothetical protein	0.0942	1	1
Brugia malayi	beta-lactamase	0.0043	0.0299	0.0275
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0066	0.0554	0.047
Echinococcus multilocularis	survival motor neuron protein 1	0.0265	0.27	0.2695
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0072	0.0617	0.0533
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1557	0.1557
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0024	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.037	0.3829	0.3829
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0025	0.0025
Trichomonas vaginalis	spcc417.12 protein, putative	0.0159	0.1557	0.8231
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0117	0.1103	0.1097
Echinococcus granulosus	glutamate receptor NMDA	0.0254	0.2576	0.2571
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1557	0.1557
Brugia malayi	N-terminal motif family protein	0.0177	0.1752	0.1732
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0117	0.1103	0.1097
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0154	0.1497	0.1491
Brugia malayi	hypothetical protein	0.0033	0.0197	0.0173
Schistosoma mansoni	cpg binding protein	0.0036	0.0227	0.014
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0184	0.0184
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0024	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0178	0.0178
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.0911	0.083
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0299	0.5
Echinococcus multilocularis	para nitrobenzyl esterase	0.0159	0.1557	0.1552
Entamoeba histolytica	hypothetical protein	0.0043	0.0299	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0299	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0325	0.0319
Brugia malayi	latrophilin 2 splice variant baaae	0.0253	0.2567	0.2549
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0392	0.2516
Schistosoma mansoni	cpg binding protein	0.0036	0.0227	0.014
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.1543	0.1537
Entamoeba histolytica	hypothetical protein	0.0043	0.0299	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0299	0.0498
Schistosoma mansoni	glutamate receptor AMPA	0.0129	0.1233	0.1155
Echinococcus granulosus	GPCR family 2	0.0117	0.1103	0.1097
Schistosoma mansoni	alpha-glucosidase	0.0136	0.1306	0.1228
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0299	0.0275
Brugia malayi	Glutamate receptor 1 precursor	0.0129	0.1233	0.1211
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.0911	0.083
Schistosoma mansoni	cpg binding protein	0.0034	0.0206	0.0119
Brugia malayi	hypothetical protein	0.0051	0.0392	0.0369
Echinococcus granulosus	glutamate receptor 2	0.0154	0.1497	0.1491
Echinococcus granulosus	microtubule associated protein 2	0.0669	0.705	0.7048
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0099	0.0911	0.0905
Onchocerca volvulus		0.0159	0.1557	0.8815
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0218	0.0194
Brugia malayi	Calcitonin receptor-like protein seb-1	0.037	0.3829	0.3814
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0218	0.3946
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.037	0.3829	0.3829
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0117	0.1103	0.1097
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0159	0.1557	0.1552
Leishmania major	hypothetical protein, conserved	0.0051	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.0117	0.1103	0.1103
Echinococcus multilocularis	glutamate receptor NMDA	0.0254	0.2576	0.2571
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0159	0.1557	0.1482

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 60.3 uM	Antiproliferative activity against human HCT116 cells after 96 hrs by WST-1 assay	ChEMBL.	20225862
GI50 (functional)	> 100 uM	Antiproliferative activity against human DU145 cells after 96 hrs by WST-1 assay	ChEMBL.	20225862
GI50 (functional)	> 100 uM	Antiproliferative activity against human HOP62 cells after 96 hrs by WST-1 assay	ChEMBL.	20225862
GI50 (functional)	> 100 uM	Antiproliferative activity against human SF539 cells after 96 hrs by WST-1 assay	ChEMBL.	20225862
GI50 (functional)	> 100 uM	Antiproliferative activity against human UACC62 cells after 96 hrs by WST-1 assay	ChEMBL.	20225862
GI50 (functional)	> 100 uM	Antiproliferative activity against human OVCAR-3 cells after 96 hrs by WST-1 assay	ChEMBL.	20225862
GI50 (functional)	> 100 uM	Antiproliferative activity against human SN12C cells after 96 hrs by WST-1 assay	ChEMBL.	20225862

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.

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External resources for this compound

ChEMBL: CHEMBL1089171

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1115473