TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 394.533 | Formula: C22H26N4OS
H donors: 3 H acceptors: 2 LogP: 4.39 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(CC(c1csc(n1)NC(=O)Nc1ccccc1Cc1ccccc1)N)C
InChi: 1S/C22H26N4OS/c1-15(2)12-18(23)20-14-28-22(25-20)26-21(27)24-19-11-7-6-10-17(19)13-16-8-4-3-5-9-16/h3-11,14-15,18H,12-13,23H2,1-2H3,(H2,24,25,26,27)
InChiKey: IGPBKENAKBJISR-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	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0026	0.0072	0.0065
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0056	0.0252	0.0252
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0056	0.0252	0.0252
Echinococcus granulosus	intermediate filament protein	0.0027	0.0076	0.0076
Brugia malayi	hypothetical protein	0.0036	0.013	0.0123
Brugia malayi	ecdysone receptor	0.0026	0.0072	0.0065
Onchocerca volvulus		0.0131	0.0713	0.2596
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0026	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0115	0.061	0.061
Brugia malayi	ecdysteroid receptor	0.0056	0.0252	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0252	0.0252
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0163	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.013	0.0706	0.0706
Echinococcus multilocularis	geminin	0.0372	0.2178	0.2178
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0028	0.0028
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0056	0.0252	0.0252
Schistosoma mansoni	tyrosine kinase	0.0078	0.0385	0.0358
Echinococcus multilocularis	FTZ F1 alpha	0.0056	0.0252	0.0252
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0076	0.0076
Brugia malayi	hypothetical protein	0.0026	0.0072	0.0065
Brugia malayi	intermediate filament protein	0.0027	0.0076	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0008	0.0008
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.096	0.5762	0.5759
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0026	0.0072	0.0072
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1655	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0056	0.0252	0.0245
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0359	0.2098	0.2091
Plasmodium falciparum	carbonic anhydrase	0.096	0.5762	1
Schistosoma mansoni	hypothetical protein	0.0136	0.0741	0.0715
Onchocerca volvulus		0.0027	0.0076	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0092	0.0092
Echinococcus multilocularis	epidermal growth factor receptor	0.0146	0.0802	0.0802
Mycobacterium leprae	Possible regulatory protein	0.0016	0.0008	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0056	0.0252	0.0245
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0026	0.0072	0.0072
Brugia malayi	tailless protein	0.0026	0.0072	0.0065
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0047	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0252	0.0252
Schistosoma mansoni	tyrosine kinase	0.0047	0.0196	0.0169
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0029	0.0092	0.0064
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0279	0.0271
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0056	0.0252	0.0225
Schistosoma mansoni	retinoic acid receptor RXR	0.0056	0.0252	0.0225
Brugia malayi	Nuclear hormone receptor-like 1	0.0029	0.0092	0.0084
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.017	0.0948	0.0948
Schistosoma mansoni	carbonic anhydrase-related	0.096	0.5762	0.575
Brugia malayi	bHLH-PAS transcription factor	0.0045	0.0185	0.0177
Echinococcus multilocularis	carbonic anhydrase	0.096	0.5762	0.5762
Brugia malayi	hypothetical protein	0.0029	0.0092	0.0084
Schistosoma mansoni	coup transcription factor	0.0056	0.0252	0.0225
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0026	0.0072	0.0072
Echinococcus multilocularis	carbonic anhydrase II	0.1655	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0056	0.0252	0.0252
Schistosoma mansoni	aryl hydrocarbon receptor	0.0176	0.0983	0.0958
Toxoplasma gondii	hypothetical protein	0.096	0.5762	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0374	0.0374
Echinococcus granulosus	thyroid hormone receptor alpha	0.0026	0.0072	0.0072
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0165	0.0918	0.0918
Schistosoma mansoni	tyrosine kinase	0.0078	0.0385	0.0358
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.0226	0.0226
Plasmodium falciparum	histone acetyltransferase GCN5	0.0046	0.0191	0.0284
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0146	0.0802	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0252	0.0252
Loa Loa (eye worm)	DR-78	0.0026	0.0072	0.0072
Brugia malayi	nuclear hormone receptor	0.0026	0.0072	0.0065
Echinococcus multilocularis	lamin	0.0027	0.0076	0.0076
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0028	0.002
Onchocerca volvulus	Protein ultraspiracle homolog	0.0056	0.0252	0.0729
Brugia malayi	steroid hormone receptor	0.0056	0.0252	0.0245
Onchocerca volvulus		0.0056	0.0252	0.0729
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0028	0.002
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0056	0.0252	0.0245
Brugia malayi	Nuclear hormone receptor-like 1	0.0029	0.0092	0.0084
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0904	0.0904
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0163	0.0163
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.005	0.0216	1
Loa Loa (eye worm)	hypothetical protein	0.1539	0.9293	0.9293
Schistosoma mansoni	carbonic anhydrase-related	0.096	0.5762	0.575
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0028	0.0028
Echinococcus granulosus	carbonic anhydrase	0.096	0.5762	0.5762
Loa Loa (eye worm)	hypothetical protein	0.006	0.0279	0.0279
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0016	0.0011	0.0011
Echinococcus granulosus	ecdysone induced protein 78C	0.0056	0.0252	0.0252
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0056	0.0252	0.0252
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.096	0.5762	0.5759
Brugia malayi	hypothetical protein	0.0029	0.0092	0.0084
Loa Loa (eye worm)	TK/INSR protein kinase	0.0047	0.0196	0.0196
Echinococcus multilocularis	insulin receptor	0.0047	0.0196	0.0196
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0028	0.002
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0028	0.002
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0167	0.0932	0.0932
Brugia malayi	nuclear receptor NHR-88	0.0026	0.0072	0.0065
Echinococcus granulosus	GPCR family 2	0.0019	0.0028	0.0028
Echinococcus multilocularis	ecdysone induced protein 78C	0.0056	0.0252	0.0252
Echinococcus multilocularis	transfer RNA-Lys	0.0045	0.0185	0.0185
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0028	0.0028
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0056	0.0252	0.0245
Brugia malayi	Nuclear hormone receptor-like 1	0.0056	0.0252	0.0245
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0056	0.0252	0.0252
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0467	0.2761	0.2761
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0056	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0073	0.0073
Trypanosoma brucei	carbonic anhydrase-like protein	0.1655	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0056	0.0252	0.0252
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0056	0.0252	0.0245
Schistosoma mansoni	zinc finger protein	0.0026	0.0072	0.0045
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0056	0.0252	0.0252
Echinococcus granulosus	insulin receptor	0.0047	0.0196	0.0196
Brugia malayi	nuclear hormone receptor	0.0056	0.0252	0.0245
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0431	0.254	0.254
Onchocerca volvulus		0.0045	0.0188	0.047
Schistosoma mansoni	tyrosine kinase	0.0047	0.0196	0.0169
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0028	0.002
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0252	0.0252
Echinococcus granulosus	carbonic anhydrase	0.096	0.5762	0.5762
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0056	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.013	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1634	0.1634
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0092	0.0092
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0029	0.0092	0.0064
Echinococcus multilocularis	epidermal growth factor receptor	0.0078	0.039	0.039
Echinococcus granulosus	lamin dm0	0.0027	0.0076	0.0076
Brugia malayi	nuclear receptor NHR-88	0.0056	0.0252	0.0245
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0056	0.0252	0.0225
Onchocerca volvulus		0.0027	0.0076	0.0013
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0056	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0056	0.0252	0.0252
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0056	0.0252	0.0245
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0056	0.0252	0.0225
Echinococcus granulosus	single minded 2	0.0045	0.0185	0.0185
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0131	0.071	0.071
Echinococcus granulosus	lamin	0.0027	0.0076	0.0076
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0056	0.0252	0.0252
Schistosoma mansoni	nuclear receptor	0.0026	0.0072	0.0045
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0115	0.061	0.0603
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0056	0.0252	0.0225
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0056	0.0252	0.0245
Loa Loa (eye worm)	nuclear hormone receptor	0.0026	0.0072	0.0072
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.005	0.0216	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0252	0.0252
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0092	0.0092
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.0216	0.0216
Loa Loa (eye worm)	hypothetical protein	0.096	0.5762	0.5762
Brugia malayi	acetyltransferase, GNAT family protein	0.017	0.0948	0.094
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0056	0.0252	0.0252
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0026	0.0072	0.0045
Trichomonas vaginalis	bromodomain-containing protein, putative	0.005	0.0216	1
Echinococcus granulosus	aryl hydrocarbon receptor	0.0131	0.071	0.071
Brugia malayi	bZIP transcription factor family protein	0.0167	0.0932	0.0925
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0829	0.4963	0.4963
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0026	0.0072	0.0065
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0056	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Schistosoma mansoni	nuclear receptor	0.0026	0.0072	0.0045
Echinococcus multilocularis	lamin dm0	0.0027	0.0076	0.0076
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0279	0.0279
Giardia lamblia	Histone acetyltransferase GCN5	0.0046	0.0191	0.5
Loa Loa (eye worm)	hypothetical protein	0.096	0.5762	0.5762
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.005	0.0216	0.0328
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0016	0.0011	0.0011
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0076	0.0048
Schistosoma mansoni	jun-related protein	0.0136	0.0741	0.0715
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0028	0.0028
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0431	0.254	0.2534
Schistosoma mansoni	hypothetical protein	0.096	0.5762	0.575
Onchocerca volvulus		0.0431	0.254	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0092	0.0092
Schistosoma mansoni	thyroid hormone receptor	0.0056	0.0252	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Echinococcus multilocularis	jun protein	0.0167	0.0932	0.0932
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.096	0.5762	0.5762
Echinococcus multilocularis	musashi	0.0027	0.0076	0.0076
Schistosoma mansoni	nuclear hormone receptor	0.0056	0.0252	0.0225
Brugia malayi	Cytochrome P450 family protein	0.0052	0.0226	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Schistosoma mansoni	hypothetical protein	0.0372	0.2178	0.2156
Brugia malayi	Furin-like cysteine rich region family protein	0.0146	0.0802	0.0795
Schistosoma mansoni	tyrosine kinase	0.0146	0.0802	0.0776
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0837	0.0837
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0167	0.0932	0.0932
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0056	0.0252	0.0252
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0026	0.0072	0.0072
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0056	0.0252	0.0225
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0019	0.0028	0.5
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1655	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0026	0.0072	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0252	0.0252
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0056	0.0252	0.0729
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.005	0.0216	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0028	0.0028
Schistosoma mansoni	lamin	0.0027	0.0076	0.0048
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0028	0.002
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Brugia malayi	nuclear receptor RXR	0.0026	0.0072	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0026	0.0072	0.0072
Echinococcus granulosus	nuclear receptor nhr 48	0.0026	0.0072	0.0072
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0026	0.0072	0.0072
Echinococcus multilocularis		0.0045	0.0187	0.0187
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.013	0.013
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0026	0.0072	0.0072
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0056	0.0252	0.0245
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0026	0.0072	0.0072
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.096	0.5762	0.5759
Schistosoma mansoni	nuclear hormone receptor	0.0026	0.0072	0.0045
Trypanosoma brucei	RNA helicase, putative	0.0101	0.053	0.0503
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0073	0.0359	0.0359
Schistosoma mansoni	thyroid hormone receptor	0.0056	0.0252	0.0225
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.096	0.5762	0.5759
Brugia malayi	small heat shock protein	0.0575	0.342	0.3415
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.1655	1	1
Echinococcus granulosus	geminin	0.0372	0.2178	0.2178
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0056	0.0252	0.0225
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.096	0.5762	0.5759
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0076	0.0076
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1655	1	1
Schistosoma mansoni	hypothetical protein	0.0372	0.2178	0.2156
Loa Loa (eye worm)	hypothetical protein	0.0575	0.342	0.342
Echinococcus granulosus	epidermal growth factor receptor	0.0078	0.039	0.039
Brugia malayi	Steroid receptor seven-up type 2	0.0056	0.0252	0.0245
Echinococcus multilocularis	carbonic anhydrase	0.096	0.5762	0.5762
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0056	0.0252	0.0252
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0028	0.0028
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0028	0.0028
Leishmania major	carbonic anhydrase-like protein	0.1655	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0056	0.0252	0.0252
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0026	0.0072	0.0072
Brugia malayi	nuclear receptor NHR-67	0.0026	0.0072	0.0065
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0029	0.0092	0.0092
Brugia malayi	orphan nuclear receptor NR2E1	0.0026	0.0072	0.0065
Echinococcus granulosus	carbonic anhydrase II	0.1655	1	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1655	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0026	0.0072	0.0065
Loa Loa (eye worm)	carbonic anhydrase 3	0.1655	1	1
Echinococcus granulosus	epidermal growth factor receptor	0.0146	0.0802	0.0802
Brugia malayi	Nuclear hormone receptor E75	0.0026	0.0072	0.0065
Schistosoma mansoni	tyrosine kinase	0.0078	0.039	0.0363
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0028	0.0028
Schistosoma mansoni	single-minded	0.0061	0.0281	0.0254
Schistosoma mansoni	tyrosine kinase	0.0078	0.039	0.0363
Brugia malayi	nuclear hormone receptor family member odr-7	0.0026	0.0072	0.0065
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0056	0.0252	0.0252
Brugia malayi	nuclear receptor RXR	0.0029	0.0092	0.0084
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0056	0.0252	0.0245
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0028	0.0028
Onchocerca volvulus		0.013	0.0706	0.2569
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0047	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Echinococcus multilocularis	nuclear receptor nhr 48	0.0026	0.0072	0.0072
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0016	0.0011	0.0011
Schistosoma mansoni	RAR-like nuclear receptor	0.0056	0.0252	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0092	0.0092
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0029	0.0092	0.0092
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0078	0.039	0.039
Loa Loa (eye worm)	acetyltransferase	0.017	0.0948	0.0948
Echinococcus granulosus	carbonic anhydrase	0.096	0.5762	0.5762
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0614	0.0614
Brugia malayi	photoreceptor-specific nuclear receptor	0.0056	0.0252	0.0245
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0056	0.0252	0.0225
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0056	0.0252	0.0252
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0252	0.0252
Schistosoma mansoni	hypothetical protein	0.0041	0.0163	0.0135
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0279	0.0271
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0076	0.0068
Schistosoma mansoni	tyrosine kinase	0.0078	0.0385	0.0358
Echinococcus granulosus	jun protein	0.0167	0.0932	0.0932
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0131	0.0709	0.0683
Schistosoma mansoni	nuclear receptor nhr-48	0.0026	0.0072	0.0045
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0016	0.0008	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0026	0.0072	0.0045
Echinococcus multilocularis	carbonic anhydrase	0.096	0.5762	0.5762
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0056	0.0252	0.0252
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0056	0.0252	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0076	0.0076
Schistosoma mansoni	lamin	0.0027	0.0076	0.0048
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.017	0.0948	0.0922
Brugia malayi	Protein kinase domain containing protein	0.0047	0.0196	0.0189
Schistosoma mansoni	hypothetical protein	0.0036	0.013	0.0103
Schistosoma mansoni	carbonic anhydrase	0.096	0.5762	0.575
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1655	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0029	0.0092	0.0092
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0056	0.0252	0.0252
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0028	0.0028
Schistosoma mansoni	hypothetical protein	0.0101	0.053	0.0503
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0056	0.0252	0.0245
Brugia malayi	PAS domain containing protein	0.0061	0.0281	0.0274
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0019	0.0028	0.002
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0026	0.0072	0.0065
Onchocerca volvulus		0.0431	0.254	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0026	0.0072	0.0072
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0056	0.0252	0.0245
Entamoeba histolytica	acetyltransferase, GNAT family	0.0046	0.0191	1
Brugia malayi	hypothetical protein	0.0131	0.0713	0.0706
Loa Loa (eye worm)	steroid hormone receptor	0.0056	0.0252	0.0252
Brugia malayi	follicle stimulating hormone receptor	0.0467	0.2761	0.2755
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0073	0.0359	0.0359
Mycobacterium ulcerans	putative regulatory protein	0.0045	0.0185	0.5
Brugia malayi	conserved hypotetical protein	0.0026	0.0072	0.0065
Onchocerca volvulus	Bile acid receptor homolog	0.0056	0.0252	0.0729
Schistosoma mansoni	carbonic anhydrase-related	0.096	0.5762	0.575
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0056	0.0252	0.0245

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference

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: CHEMBL1902396

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 1539354