TDR Targets

Basic information

Technical information

TDR Targets ID: 1269778
Name: [2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxoe thyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl ]benzoate
MW: 591.653 | Formula: C26H29N3O9S2
H donors: 3 H acceptors: 7 LogP: 3.25 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CCN(S(=O)(=O)c1ccc(cc1)NC(=O)COC(=O)c1cc(ccc1O)S(=O)(=O)Nc1ccc(cc1)OC)CC
InChi: 1S/C26H29N3O9S2/c1-4-29(5-2)40(35,36)21-12-8-18(9-13-21)27-25(31)17-38-26(32)23-16-22(14-15-24(23)30)39(33,34)28-19-6-10-20(37-3)11-7-19/h6-16,28,30H,4-5,17H2,1-3H3,(H,27,31)
InChiKey: BDOYXDAAMLHNJB-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxo-ethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxoethyl] ester
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[[4-(diethylsulfamoyl)phenyl]amino]-2-keto-ethyl] ester
MLS001002524
SMR000369052
T5280262

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	multiple endocrine neoplasia I		No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
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 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0.0005	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.068	0.6942
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0267	0.2128
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0092	0.0883	0.0883
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0257	0.0257
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0257	0.0257
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0092	0.0883	0.5
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0092	0.0883	0.0883
Trypanosoma brucei	glycerol uptake protein, putative	0.0092	0.0883	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0026	0.0026
Echinococcus multilocularis	ferritin	0.001	0.0005	0.0005
Plasmodium vivax	aspartyl proteinase, putative	0.0034	0.0257	0.0407
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0026	0.0026
Plasmodium vivax	aspartyl proteinase, putative	0.0107	0.1038	0.9256
Brugia malayi	hypothetical protein	0.0034	0.0257	0.2052
Plasmodium vivax	aspartyl protease, putative	0.0034	0.0257	0.0407
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0092	0.0883	0.0883
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0026	0.0026
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0026	0.0026
Brugia malayi	MBOAT family protein	0.0092	0.0883	0.7036
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0075	0.06
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0124	0.1217	0.1217
Schistosoma mansoni	cpg binding protein	0.0037	0.0288	0.0288
Brugia malayi	hypothetical protein	0.0021	0.0123	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0026
Schistosoma mansoni	hypothetical protein	0.0014	0.0042	0.0042
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.068	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0075	0.0075
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.1254	0.1254
Schistosoma mansoni	apoferritin-2	0.001	0.0005	0.0005
Loa Loa (eye worm)	MBOAT family protein	0.0092	0.0883	0.0883
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0124	0.1217	0.1217
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0009	0.0073
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0683	0.0683
Plasmodium falciparum	plasmepsin VII	0.0034	0.0257	0.0407
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0107	0.1038	0.1038
Plasmodium vivax	aspartyl protease, putative	0.0113	0.1104	1
Leishmania major	glycerol uptake protein, putative	0.0092	0.0883	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0026	0.0026
Loa Loa (eye worm)	hhat protein	0.0092	0.0883	0.0883
Toxoplasma gondii	1,3-beta-glucan synthase component protein	0.0627	0.6603	1
Schistosoma mansoni	ferritin	0.001	0.0005	0.0005
Echinococcus multilocularis	sterol O acyltransferase 1	0.0944	1	1
Onchocerca volvulus		0.0037	0.0292	0.3306
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0123	0.0123
Onchocerca volvulus		0.0021	0.0123	0.1391
Schistosoma mansoni	memapsin-2 (A01 family)	0.0034	0.0257	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0026
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0124	0.1217	0.1217
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0123	0.0123
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0092	0.0883	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0065	0.0065
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.068	0.068
Schistosoma mansoni	ferritin light chain	0.001	0.0005	0.0005
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0092	0.0883	0.0883
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0026	0.0026
Brugia malayi	aspartic protease BmAsp-1, identical	0.0034	0.0257	0.2052
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0026	0.0299
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0092	0.0883	0.0883
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0107	0.1038	0.1038
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0026	0.0026
Onchocerca volvulus		0.0092	0.0883	1
Onchocerca volvulus		0.0012	0.0026	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0026
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0026	0.0026
Plasmodium vivax	plasmepsin IV, putative	0.0107	0.1038	0.9256
Toxoplasma gondii	aspartyl protease ASP3	0.0113	0.1104	0.1383
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.068	0.068
Echinococcus granulosus	ferritin	0.001	0.0005	0.0005
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0075	0.0075
Schistosoma mansoni	ferritin	0.001	0.0005	0.0005
Leishmania major	hypothetical protein, conserved	0.0092	0.0883	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0257	0.0257
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0463	0.3692
Brugia malayi	hypothetical protein	0.002	0.0106	0.0845
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0021	0.0123	0.0123
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0026	0.0026
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0026	0.0026
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0011	0.0011
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0092	0.0883	0.0883
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0026	0.021
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0026	0.0299
Plasmodium falciparum	plasmepsin I	0.0107	0.1038	0.9256
Onchocerca volvulus		0.0037	0.0292	0.3306
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0883	0.0883
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0883	0.8492
Brugia malayi	Hhat protein	0.0092	0.0883	0.7036
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0021	0.0123	0.0123
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0123	0.0123
Schistosoma mansoni	ferritin	0.001	0.0005	0.0005
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0026	0.0026
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0021	0.0123	0.0979
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0026	0.0026
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0107	0.1038	0.1038
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0026	0.021
Echinococcus granulosus	expressed protein	0.001	0.0005	0.0005
Trypanosoma cruzi	glycerol uptake protein, putative	0.0092	0.0883	1
Onchocerca volvulus		0.0035	0.0267	0.3024
Loa Loa (eye worm)	hypothetical protein	0.0852	0.9013	0.9013
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0075	0.06
Schistosoma mansoni	hypothetical protein	0.0036	0.0284	0.0284
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0026
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0124	0.1217	0.1217
Schistosoma mansoni	hypothetical protein	0.0092	0.0883	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0883	0.0883
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0107	0.1038	0.128
Plasmodium falciparum	plasmepsin X	0.0113	0.1104	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0026	0.021
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.068	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0026	0.0026
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0092	0.0883	0.0883
Echinococcus granulosus	geminin	0.0205	0.2086	0.2086
Schistosoma mansoni	hypothetical protein	0.0017	0.0075	0.0075
Entamoeba histolytica	hypothetical protein	0.0092	0.0883	0.5
Brugia malayi	MBOAT family protein	0.0092	0.0883	0.7036
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0284	0.2261
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0037	0.0292	0.0292
Brugia malayi	hypothetical protein	0.003	0.0222	0.1766
Brugia malayi	hypothetical protein	0.0021	0.0123	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0026
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0257	0.0257
Brugia malayi	aspartic protease BmAsp-2, identical	0.0034	0.0257	0.2052
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.068	0.0719
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0026	0.021
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0267	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0257	0.0257
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0014	0.0042	0.0042
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0463	0.3692
Brugia malayi	MBOAT family protein	0.0092	0.0883	0.7036
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0092	0.0883	0.0883
Echinococcus multilocularis	geminin	0.0205	0.2086	0.2086
Echinococcus granulosus	cpg binding protein	0.0037	0.0288	0.0288
Schistosoma mansoni	apoferritin-2	0.001	0.0005	0.0005
Plasmodium falciparum	plasmepsin III	0.0034	0.0257	0.0407
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0124	0.1217	0.1217
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0123	0.0123
Onchocerca volvulus		0.0037	0.0292	0.3306
Onchocerca volvulus		0.0037	0.0292	0.3306
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0599	0.0591
Schistosoma mansoni	hypothetical protein	0.0017	0.0075	0.0075
Schistosoma mansoni	ferritin	0.001	0.0005	0.0005
Plasmodium vivax	aspartyl protease, putative	0.0113	0.1104	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0065	0.0065
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0092	0.0883	0.7491
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0092	0.0883	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0944	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0026	0.021
Schistosoma mansoni	sterol O-acyltransferase 1	0.0944	1	1
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0092	0.0883	0.0883
Entamoeba histolytica	hypothetical protein, conserved	0.0092	0.0883	0.5
Brugia malayi	hypothetical protein	0.0016	0.0065	0.0516
Onchocerca volvulus		0.0034	0.0257	0.2917
Toxoplasma gondii	aspartyl protease	0.0034	0.0257	0.0056
Brugia malayi	nuclear hormone receptor	0.0012	0.0026	0.021
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0037	0.0292	0.2326
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0034	0.0257	0.0056
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0026	0.021
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0026	0.0026
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0463	0.0463
Schistosoma mansoni	cpg binding protein	0.0037	0.0288	0.0288
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0026	0.0026
Echinococcus multilocularis	cpg binding protein	0.0037	0.0288	0.0288
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0257	0.0257
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0034	0.0257	0.2052
Leishmania major	glycerol uptake protein, putative	0.0092	0.0883	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0065	0.0065
Brugia malayi	LBP/BPI	0.0016	0.0065	0.0516
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0037	0.0292	0.2326
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.068	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0026	0.021
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0257	0.0257
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0065	0.0575
Plasmodium falciparum	plasmepsin IV	0.0107	0.1038	0.9256
Brugia malayi	MBOAT family protein	0.0092	0.0883	0.7036
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0123	0.0123
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0026	0.0026
Loa Loa (eye worm)	MBOAT family protein	0.0092	0.0883	0.0883
Schistosoma mansoni	zinc finger protein	0.0092	0.0883	0.0883
Schistosoma mansoni	hypothetical protein	0.0205	0.2086	0.2086
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1038	0.1038
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0092	0.0883	0.1036
Onchocerca volvulus		0.0016	0.0065	0.0734
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0026	0.0026
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.068	0.068
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.068	1
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0092	0.0883	0.7491
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0026	0.0026
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0026	0.021
Trypanosoma cruzi	GUP1, putative	0.0092	0.0883	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0026
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0883	0.8492
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0026	0.0026
Onchocerca volvulus		0.0034	0.0257	0.2917
Plasmodium falciparum	plasmepsin VI	0.0107	0.1038	0.9256
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0026	0.0026
Echinococcus multilocularis	expressed protein	0.001	0.0005	0.0005
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0075	0.0075
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0026	0.0026
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0021	0.0123	0.0979
Trypanosoma cruzi	glycerol uptake protein, putative	0.0092	0.0883	1
Onchocerca volvulus		0.0021	0.0123	0.1391
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0026	0.0026
Plasmodium falciparum	plasmepsin II	0.0107	0.1038	0.9256
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0092	0.0883	0.0883
Toxoplasma gondii	aspartyl protease ASP1	0.0107	0.1038	0.128
Leishmania major	glycerol uptake protein, putative	0.0092	0.0883	1
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0092	0.0883	0.0883
Trypanosoma brucei	glycerol uptake protein, putative	0.0092	0.0883	1
Brugia malayi	diacylglycerol acyltransferase	0.0092	0.0883	0.7036
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0883	0.8492
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0075	0.0075
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0026	0.0026
Treponema pallidum	alginate O-acetylation protein (algI)	0.0092	0.0883	1
Brugia malayi	hypothetical protein	0.0034	0.0257	0.2052
Toxoplasma gondii	hypothetical protein	0.0092	0.0883	0.1036
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0026	0.0026
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0092	0.0883	0.8492
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0092	0.0883	0.0883
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0026	0.021
Loa Loa (eye worm)	hypothetical protein	0.003	0.0222	0.0222
Brugia malayi	MH2 domain containing protein	0.0127	0.1254	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0075	0.0075
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0011	0.0011
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0092	0.0883	0.0883
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0037	0.0292	0.2326
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0026	0.021
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0026	0.0026
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0092	0.0883	0.0883
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0092	0.0883	0.0883
Schistosoma mansoni	hypothetical protein	0.0494	0.5182	0.5182
Brugia malayi	steroid hormone receptor	0.0012	0.0026	0.021
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0092	0.0883	0.0883
Leishmania major	glycerol uptake protein, putative	0.0092	0.0883	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0075	0.0075
Onchocerca volvulus		0.0037	0.0292	0.3306
Plasmodium falciparum	plasmepsin IX	0.0113	0.1104	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0257	0.0257
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0026	0.0026
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.5182	0.5182
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0284	0.0284
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0092	0.0883	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0292	0.0292
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0124	0.1217	0.1217
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0026	0.021
Onchocerca volvulus		0.0037	0.0292	0.3306
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0092	0.0883	0.0883
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.068	0.068
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0026	0.0026
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0026	0.0299
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0034	0.0257	0.0257
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0026	0.0026
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0021	0.0123	0.0979
Plasmodium falciparum	plasmepsin V	0.0034	0.0257	0.0407
Schistosoma mansoni	cathepsin D (A01 family)	0.0385	0.4019	0.4019
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0014	0.0042	0.0042
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0026	0.021
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0092	0.0883	0.5
Schistosoma mansoni	ferritin light chain	0.001	0.0005	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0026	0.021
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0257	0.0257
Onchocerca volvulus		0.0037	0.0292	0.3306
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.5182	0.5182
Trypanosoma cruzi	GUP1, putative	0.0092	0.0883	1
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.001	0.0005	0.5
Echinococcus granulosus	GPCR family 2	0.0017	0.0075	0.0075
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0092	0.0883	0.0883
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0463	0.0463
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.1254	0.1254
Schistosoma mansoni	cpg binding protein	0.0035	0.0267	0.0267
Plasmodium vivax	plasmepsin V, putative	0.0034	0.0257	0.0407
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0026	0.021
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0883	0.0883
Brugia malayi	MBOAT family protein	0.0092	0.0883	0.7036
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0075	0.0075
Brugia malayi	Pepsin A precursor	0.0034	0.0257	0.2052
Leishmania major	glycerol uptake protein, putative	0.0092	0.0883	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0026	0.0026
Entamoeba histolytica	vacuolar protein sorting 26	0.0092	0.0883	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0026	0.0026
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0092	0.0883	0.0883
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0092	0.0883	0.0883
Schistosoma mansoni	coup transcription factor	0.0012	0.0026	0.0026
Schistosoma mansoni	cathepsin D (A01 family)	0.0385	0.4019	0.4019
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0026	0.021
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0107	0.1038	1
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0107	0.1038	0.1038
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0026	0.0026
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0124	0.1217	0.9705
Schistosoma mansoni	hypothetical protein	0.0017	0.0075	0.0075
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0092	0.0883	0.0883
Schistosoma mansoni	hypothetical protein	0.0205	0.2086	0.2086
Trypanosoma cruzi	glycerol uptake protein, putative	0.0092	0.0883	1
Loa Loa (eye worm)	aspartyl protease 6	0.0034	0.0257	0.0257
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0026	0.0026
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0092	0.0883	0.1036
Plasmodium falciparum	plasmepsin VIII, putative	0.0034	0.0257	0.0407
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0075	0.0075
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0092	0.0883	0.0883
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0026	0.021
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0026	0.0026
Onchocerca volvulus		0.0037	0.0292	0.3306
Loa Loa (eye worm)	hhat protein	0.0092	0.0883	0.0883
Brugia malayi	ecdysteroid receptor	0.0012	0.0026	0.021
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0026	0.0026
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0257	0.0257
Loa Loa (eye worm)	MBOAT family protein	0.0092	0.0883	0.0883
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0026	0.021
Trichomonas vaginalis	porcupine, putative	0.0092	0.0883	0.8492
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0065	0.0065

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2668 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.2818 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 2.5119 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.8048 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 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
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	23.9341 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 70.7946 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	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: CHEMBL1361868

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1269778