TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.517 | Formula: C22H26N2O6S
H donors: 2 H acceptors: 5 LogP: 2.33 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CCS(=O)(=O)c1ccc(cc1)C)OCC(=O)NCC(=O)Nc1cccc(c1C)C
InChi: 1S/C22H26N2O6S/c1-15-7-9-18(10-8-15)31(28,29)12-11-22(27)30-14-21(26)23-13-20(25)24-19-6-4-5-16(2)17(19)3/h4-10H,11-14H2,1-3H3,(H,23,26)(H,24,25)
InChiKey: UZYKEXGNWUCYFT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0021	0.0306	0.0291
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0114	0.2383	0.2371
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0549	0.0565
Echinococcus granulosus	smad	0.0009	0.004	0.0025
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0023	0.0344	0.0061
Echinococcus multilocularis		0.0023	0.0344	0.0329
Onchocerca volvulus		0.0069	0.1391	1
Brugia malayi	Cytochrome P450 family protein	0.0105	0.2178	0.2378
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0023	0.0344	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0306	0.0295
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0023	0.0344	0.0066
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0023	0.0344	0.0066
Brugia malayi	MH2 domain containing protein	0.0133	0.2804	0.3075
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1391	0.1503
Echinococcus granulosus	Smad4	0.0009	0.004	0.0025
Trypanosoma brucei	cytochrome P450, putative	0.0032	0.0549	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.1391	0.1378
Schistosoma mansoni	cpg binding protein	0.0034	0.0593	0.0578
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0021	0.0306	0.0154
Toxoplasma gondii	histone lysine-specific demethylase	0.0021	0.0306	0.0492
Onchocerca volvulus		0.0069	0.1391	1
Brugia malayi	Carboxylesterase family protein	0.0411	0.9029	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1391	0.1503
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0069	0.1391	0.1902
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.0834	0.5434
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1391	0.1503
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1391	0.1503
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0021	0.0306	0.0291
Schistosoma mansoni	BC026374 protein (S09 family)	0.0069	0.1391	0.1378
Brugia malayi	cytochrome P450	0.0023	0.0344	0.0338
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0023	0.0344	0.0061
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.0834	0.082
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0069	0.1391	0.1902
Brugia malayi	hypothetical protein	0.0021	0.0299	0.0288
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0023	0.0344	0.1563
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0114	0.2383	0.2371
Brugia malayi	Doublecortin family protein	0.0021	0.0299	0.0288
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.0834	1
Echinococcus granulosus	geminin	0.0205	0.4416	0.4407
Schistosoma mansoni	cpg binding protein	0.0034	0.0593	0.0578
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0023	0.0344	0.0061
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0123	0.2594	0.2582
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0023	0.0344	0.0061
Echinococcus granulosus	cpg binding protein	0.0034	0.0593	0.0578
Schistosoma mansoni	acetylcholinesterase	0.0069	0.1391	0.1378
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0023	0.0344	0.1563
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0023	0.0344	0.0066
Schistosoma mansoni	hypothetical protein	0.0021	0.0299	0.0284
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0299	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1391	0.1503
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0023	0.0344	0.0061
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0076	0.1535	0.1522
Brugia malayi	hypothetical protein	0.0021	0.0306	0.0295
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0023	0.0344	0.0061
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0023	0.0344	0.0066
Loa Loa (eye worm)	acetylcholinesterase 1	0.0411	0.9029	1
Schistosoma mansoni	smad1 5 8 and	0.0009	0.004	0.0025
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0023	0.0344	0.0066
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0059	0.0044
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0021	0.0306	0.0154
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.004	0.0025
Schistosoma mansoni	loxhd1	0.0021	0.0299	0.0284
Echinococcus granulosus	Polycystic kidney disease protein	0.0021	0.0299	0.0284
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0147	0.313	0.3119
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0064	0.1273	0.4919
Loa Loa (eye worm)	carboxylesterase	0.0411	0.9029	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0069	0.1391	0.1378
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0021	0.0306	0.0291
Schistosoma mansoni	lipoxygenase	0.0123	0.2594	0.2582
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.1391	0.1378
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0023	0.0344	0.0066
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0023	0.0344	0.1563
Brugia malayi	hypothetical protein	0.0069	0.1391	0.1503
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0023	0.0344	0.0061
Schistosoma mansoni	smad1 5 8 and	0.0009	0.004	0.0025
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0023	0.0344	0.0066
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0023	0.0344	0.0665
Plasmodium falciparum	protoporphyrinogen oxidase	0.0021	0.0306	0.0154
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0059	0.0021
Schistosoma mansoni	polycystin 1-related	0.0021	0.0299	0.0284
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0059	0.0044
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0021	0.0306	0.0291
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0549	0.0565
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.004	0.0025
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0552	0.0569
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0056	0.0018
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0023	0.0344	0.0061
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0023	0.0344	0.0066
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.004	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1535	0.1663
Schistosoma mansoni	amine oxidase	0.0021	0.0306	0.0291
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.004	0.0025
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0023	0.0344	0.0061
Brugia malayi	Carboxylesterase family protein	0.0069	0.1391	0.1503
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0023	0.0344	0.0066
Schistosoma mansoni	cpg binding protein	0.0032	0.0552	0.0537
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0549	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.0834	0.291
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0552	0.0569
Schistosoma mansoni	Smad4	0.0009	0.004	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0306	0.0295
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0114	0.2383	0.2371
Leishmania major	cytochrome p450-like protein	0.0023	0.0344	0.1563
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0069	0.1391	0.1378
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0114	0.2383	0.2371
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0021	0.0306	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0133	0.2804	0.3075
Loa Loa (eye worm)	carboxylesterase	0.0069	0.1391	0.1503
Echinococcus granulosus	acetylcholinesterase	0.0411	0.9029	0.9028
Echinococcus multilocularis	dnaJ subfamily B	0.0454	1	1
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0023	0.0344	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0306	0.0295
Toxoplasma gondii	melibiase subfamily protein	0.0114	0.2383	1
Schistosoma mansoni	smad1 5 8 and	0.0009	0.004	0.0025
Mycobacterium ulcerans	carboxylesterase, LipT	0.0069	0.1391	0.1758
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.0751	1
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0023	0.0344	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0043	0.0003
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.004	0.0025
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.1391	0.1378
Schistosoma mansoni	rab6-interacting	0.0021	0.0299	0.0284
Brugia malayi	Carboxylesterase family protein	0.0411	0.9029	1
Echinococcus multilocularis		0.0021	0.0306	0.0291
Plasmodium vivax	hypothetical protein, conserved	0.0021	0.0306	0.013
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0549	0.0565
Brugia malayi	Carboxylesterase family protein	0.0069	0.1391	0.1503
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0069	0.1391	0.9062
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0023	0.0344	0.0066
Echinococcus multilocularis	RUN	0.0021	0.0299	0.0284
Echinococcus multilocularis	para nitrobenzyl esterase	0.0069	0.1391	0.1378
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0023	0.0344	0.0061
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0023	0.0344	0.1563
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0114	0.2383	0.2371
Mycobacterium leprae	putative cytochrome p450	0.0023	0.0344	1
Schistosoma mansoni	hypothetical protein	0.0205	0.4416	0.4407
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0023	0.0344	0.0061
Brugia malayi	hypothetical protein	0.0021	0.0299	0.0288
Echinococcus multilocularis	Polycystic kidney disease protein	0.0021	0.0299	0.0284
Schistosoma mansoni	hypothetical protein	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0306	0.0295
Leishmania major	cytochrome p450-like protein	0.0023	0.0344	0.1563
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0023	0.0344	0.0066
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0069	0.1391	0.1378
Echinococcus multilocularis	acetylcholinesterase	0.0411	0.9029	0.9028
Giardia lamblia	Histone acetyltransferase GCN5	0.0041	0.0751	0.5
Loa Loa (eye worm)	doublecortin family protein	0.0021	0.0299	0.0288
Echinococcus granulosus	acetylcholinesterase	0.0411	0.9029	0.9028
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0021	0.0306	0.0291
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0023	0.0344	0.0066
Schistosoma mansoni	smad	0.0009	0.004	0.0025
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0023	0.0349	0.0691
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0016	0.0199	0.0183
Echinococcus granulosus	neuroligin	0.0069	0.1391	0.1378
Loa Loa (eye worm)	hypothetical protein	0.0411	0.9029	1
Echinococcus granulosus	cytochrome P450 2K1	0.0023	0.0344	0.0329
Loa Loa (eye worm)	carboxylesterase	0.0069	0.1391	0.1503
Leishmania major	cytochrome p450-like protein	0.0032	0.0549	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1391	0.1503
Schistosoma mansoni	rab6-interacting	0.0021	0.0299	0.0284
Brugia malayi	Carboxylesterase family protein	0.0069	0.1391	0.1503
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.0834	0.291
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0023	0.0344	0.0061
Brugia malayi	acetyltransferase, GNAT family protein	0.0151	0.3225	0.3542
Echinococcus multilocularis	geminin	0.0205	0.4416	0.4407
Brugia malayi	Carboxylesterase family protein	0.0069	0.1391	0.1503
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0023	0.0344	0.0061
Entamoeba histolytica	acetyltransferase, GNAT family	0.0041	0.0751	0.5
Onchocerca volvulus		0.0032	0.0552	0.2315
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0023	0.0344	0.0066
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0032	0.0549	0.0393
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0297	0.6479	1
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0076	0.1535	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.1352	0.1338
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0114	0.2383	0.2371
Trichomonas vaginalis	spcc417.12 protein, putative	0.0069	0.1391	0.9062
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0023	0.0344	0.0061
Onchocerca volvulus		0.0069	0.1391	1
Brugia malayi	Melibiase family protein	0.0076	0.1535	0.1663
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0023	0.0344	0.0066
Echinococcus multilocularis	Smad4	0.0009	0.004	0.0025
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0151	0.3225	0.3214
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0023	0.0344	0.0066
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0021	0.0306	0.013
Loa Loa (eye worm)	acetyltransferase	0.0151	0.3225	0.3542
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0411	0.9029	0.9028
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0023	0.0344	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0411	0.9029	1
Schistosoma mansoni	hypothetical protein	0.0205	0.4416	0.4407
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.0834	0.5434
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0299	0.0288
Echinococcus granulosus	para nitrobenzyl esterase	0.0069	0.1391	0.1378
Echinococcus granulosus	RUN	0.0021	0.0299	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1391	0.1503
Plasmodium vivax	hypothetical protein, conserved	0.0021	0.0306	0.013
Schistosoma mansoni	amine oxidase	0.0021	0.0306	0.0291
Mycobacterium leprae	Conserved hypothetical protein	0.0023	0.0344	1
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0023	0.0344	0.0061
Brugia malayi	amine oxidase, flavin-containing family protein	0.0021	0.0306	0.0295
Onchocerca volvulus		0.0069	0.1391	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0105	0.2178	0.2378
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0069	0.1391	0.1378
Loa Loa (eye worm)	CYP4Cod1	0.0032	0.0549	0.0565
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0023	0.0344	0.0066
Echinococcus granulosus	carboxylesterase 5A	0.0411	0.9029	0.9028
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0344	0.0338
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0299	0.0284
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0276	0.6011	1
Onchocerca volvulus		0.0021	0.0306	0.0064
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0023	0.0344	0.0066
Loa Loa (eye worm)	MH2 domain-containing protein	0.0133	0.2804	0.3075
Schistosoma mansoni	hypothetical protein	0.0023	0.0344	0.0329
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0023	0.0344	0.0061
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0069	0.1391	0.1902
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0299	0.0288
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0549	0.0565
Echinococcus multilocularis	smad	0.0009	0.004	0.0025
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0114	0.2383	0.2371
Echinococcus multilocularis	acetylcholinesterase	0.0411	0.9029	0.9028
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0151	0.3225	0.3214
Echinococcus granulosus	BC026374 protein S09 family	0.0069	0.1391	0.1378
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0306	0.0295
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0299	0.0284
Echinococcus multilocularis	neuroligin	0.0069	0.1391	0.1378
Schistosoma mansoni	cytochrome P450	0.0023	0.0344	0.0329
Echinococcus multilocularis	cpg binding protein	0.0034	0.0593	0.0578
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0021	0.0306	0.0291
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0297	0.6479	1
Schistosoma mansoni	lipoxygenase	0.0086	0.1765	0.1752
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0023	0.0344	0.0066
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0023	0.0344	0.0061
Brugia malayi	SWIRM domain containing protein	0.0021	0.0306	0.0295
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0076	0.1535	0.1522
Schistosoma mansoni	gliotactin	0.0069	0.1391	0.1378
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0021	0.0306	0.013
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0549	1
Onchocerca volvulus		0.0069	0.1391	1
Echinococcus multilocularis	carboxylesterase 5A	0.0411	0.9029	0.9028
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0123	0.2594	0.2582
Loa Loa (eye worm)	cytochrome P450	0.0023	0.0344	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0306	0.0295
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0299	0.0284
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0023	0.0344	0.0066

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 112.219 um	PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)]	ChEMBL.	No reference
Potency (functional)	4.1095 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1471786

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1329169