TDR Targets

Basic information

Technical information

TDR Targets ID: 1449267
Name: 3-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)met hyl]-6,7,8,9-tetrahydro-5H-imidazo[3,2-a]azep in-1-ium bromide
MW: 486.66 | Formula: C21H20BrCl3N2
H donors: 0 H acceptors: 0 LogP: 7.33 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)c1c[n+](c2n1CCCCC2)Cc1ccc(cc1Cl)Cl.[Br-]
InChi: 1S/C21H20Cl3N2.BrH/c22-17-8-5-15(6-9-17)20-14-25(21-4-2-1-3-11-26(20)21)13-16-7-10-18(23)12-19(16)24;/h5-10,12,14H,1-4,11,13H2;1H/q+1;/p-1
InChiKey: WLBLIXOPGNKGSF-UHFFFAOYSA-M

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

3-(4-chlorophenyl)-1-(2,4-dichlorobenzyl)-6,7,8,9-tetrahydro-5H-imidazo[3,2-a]azepin-1-ium bromide
3-(4-Chloro-phenyl)-1-(2,4-dichloro-benzyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
MLS000780009
SMR000420192

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Mus musculus	wingless-type MMTV integration site family, member 3A	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Mus musculus	GLI-Kruppel family member GLI1	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	isocitrate dehydrogenase	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
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	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
Candida albicans	cytosolic NADP-specific 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
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Echinococcus granulosus	NADP dependent 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
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	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
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	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
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, 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
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	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
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	zinc finger transcription factor gli2	Get druggable targets OG5_130785	All targets in OG5_130785
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	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
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	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
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Candida albicans	Mitochondrial NADP-specific 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
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	zinc finger transcription factor gli2	Get druggable targets OG5_130785	All targets in OG5_130785
Loa Loa (eye worm)	zinc finger protein	Get druggable targets OG5_130785	All targets in OG5_130785
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	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
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	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
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Zinc finger, C2H2 type family protein	Get druggable targets OG5_130785	All targets in OG5_130785
Trypanosoma brucei	isocitrate dehydrogenase, 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
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	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
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, 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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Wnt-2 protein precursor	wingless-type MMTV integration site family, member 3A	352 aa	355 aa	39.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.008	0.0582	0.0559
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0028	0.0107	0.1478
Brugia malayi	hypothetical protein	0.0043	0.0248	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0019	0.0025	0.5
Mycobacterium ulcerans	putative regulatory protein	0.0227	0.1935	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.008	0.0582	1
Brugia malayi	hypothetical protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0028	0.0107	0.0107
Loa Loa (eye worm)	zinc finger protein	0.0373	0.3274	0.3257
Trichomonas vaginalis	guanylate cyclase, putative	0.008	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Echinococcus multilocularis	aryl hydrocarbon receptor	0.008	0.0582	0.0559
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.008	0.0582	0.0559
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Schistosoma mansoni	hypothetical protein	0.0043	0.0248	0.0248
Brugia malayi	Protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0028	0.0107	0.0083
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0028	0.0107	0.0083
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0248	0.0224
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Entamoeba histolytica	hypothetical protein	0.0043	0.0248	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0028	0.0107	0.1478
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0028	0.0107	0.0107
Brugia malayi	hypothetical protein	0.0028	0.0107	0.0083
Schistosoma mansoni	pcd6 interacting protein-related	0.0028	0.0107	0.0107
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0028	0.0107	0.0107
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1107	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0248	0.0224
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Brugia malayi	bHLH-PAS transcription factor	0.0227	0.1935	0.1915
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0028	0.0107	0.0107
Echinococcus multilocularis	hypothetical protein	0.0028	0.0107	0.0083
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.008	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.1031	0.9303	0.9301
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0028	0.0107	0.0083
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0028	0.0107	0.0083
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.1107	1	1
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.008	0.0582	1
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0028	0.0107	0.1478
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0028	0.0107	0.0083
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0028	0.0107	0.0083
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.497	0.4958
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0028	0.0107	0.1478
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0028	0.0107	0.0083
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0028	0.0107	0.0107
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Brugia malayi	hypothetical protein	0.0028	0.0107	0.0083
Schistosoma mansoni	protein tyrosine phosphatase	0.0028	0.0107	0.0107
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0028	0.0107	0.0083
Echinococcus multilocularis	transfer RNA-Lys	0.0227	0.1935	0.1915
Schistosoma mansoni	single-minded	0.0307	0.2668	0.2668
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0028	0.0107	0.0083
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.008	0.0582	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0951	0.8571	0.8567
Echinococcus granulosus	single minded 2	0.0227	0.1935	0.1915
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Entamoeba histolytica	hypothetical protein	0.0043	0.0248	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.008	0.0582	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0019	0.0025	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.497	0.4958
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Entamoeba histolytica	hypothetical protein	0.0043	0.0248	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Echinococcus granulosus	aryl hydrocarbon receptor	0.008	0.0582	0.0559
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Echinococcus granulosus	neuropeptide receptor A26	0.0558	0.497	0.4958
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0025	0.0025
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.008	0.0582	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Echinococcus granulosus	zinc finger transcription factor gli2	0.0373	0.3274	0.3257
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Schistosoma mansoni	protein tyrosine phosphatase	0.0028	0.0107	0.0107
Brugia malayi	hypothetical protein	0.1031	0.9303	0.9301
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0028	0.0107	0.0083
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0373	0.3274	0.3257
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0028	0.0107	0.0083
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0028	0.0107	0.0083
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.008	0.0582	1
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0028	0.0107	0.0083
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0028	0.0107	0.0083
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Mycobacterium leprae	Possible regulatory protein	0.008	0.0582	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Trichomonas vaginalis	adenylate cyclase, putative	0.008	0.0582	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.0582	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0028	0.0107	0.0083
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Brugia malayi	Zinc finger, C2H2 type family protein	0.0373	0.3274	0.3257
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.0582	1
Leishmania major	protein kinase, putative	0.008	0.0582	1
Brugia malayi	hypothetical protein	0.0028	0.0107	0.0083
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0028	0.0107	0.0083
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0028	0.0107	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Leishmania major	protein kinase, putative	0.008	0.0582	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.0582	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Schistosoma mansoni	protein tyrosine phosphatase	0.0028	0.0107	0.0107
Brugia malayi	hypoxia-induced factor 1	0.0951	0.8571	0.8567
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0028	0.0107	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0028	0.0107	0.0083
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0028	0.0107	0.0083
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.008	0.0582	0.0559
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0028	0.0107	0.0107
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0028	0.0107	0.0107
Onchocerca volvulus		0.0227	0.1935	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.497	0.4958
Brugia malayi	PAS domain containing protein	0.0307	0.2668	0.2649
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.008	0.0582	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0028	0.0107	0.0083
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1107	1	1
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.008	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0028	0.0107	0.0107
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0028	0.0107	0.0107
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.008	0.0582	1
Echinococcus multilocularis		0.0028	0.0107	0.0083
Giardia lamblia	Protein tyrosine phosphatase	0.0028	0.0107	0.5
Leishmania major	tyrosine specific protein phosphatase, putative	0.0028	0.0107	0.1478
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Brugia malayi	hypothetical protein	0.0028	0.0107	0.0083
Entamoeba histolytica	hypothetical protein	0.0043	0.0248	1
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.008	0.0582	0.0559
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0028	0.0107	0.0083
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Schistosoma mansoni	aryl hydrocarbon receptor	0.0307	0.2668	0.2668
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0028	0.0107	0.0107
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0028	0.0107	0.0083
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0028	0.0107	0.0083
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0025	0.5
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.0107	0.0083
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0028	0.0107	0.0107
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0028	0.0107	0.0107
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0025	0.5
Onchocerca volvulus		0.008	0.0582	0.2598
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0028	0.0107	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.008	0.0582	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0028	0.0107	0.0083
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0028	0.0107	0.0083
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.008	0.0582	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0019	0.0025	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1107	1	1
Brugia malayi	Protein-tyrosine phosphatase 1	0.0028	0.0107	0.0083
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0028	0.0107	0.0083
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0028	0.0107	0.0083
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.008	0.0582	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.008	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0107	0.0083
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0028	0.0107	0.0107

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	5.31 uM	PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SUFU in a luminescent reporter assay. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	12.5 uM	PubChem BioAssay. Dose response validation of uHTS Gli-SUFU antagonist hits in a Wnt3a luminescent reporter assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.1651 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	1.6511 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)	5.6234 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)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.1995 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)	= 11.2202 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.581 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1584133

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1449267