TDR Targets

Basic information

Technical information

TDR Targets ID: 1308581
Name: 1-(1-adamantyl)-2-(1,2-dihydroimidazo[2,1-b]b enzimidazol-4-yl)ethanone hydrobromide
MW: 416.355 | Formula: C21H26BrN3O
H donors: 0 H acceptors: 1 LogP: 3.91 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C12CC3CC(C2)CC(C1)C3)Cn1c2=NCCn2c2c1cccc2.Br
InChi: 1S/C21H25N3O.BrH/c25-19(21-10-14-7-15(11-21)9-16(8-14)12-21)13-24-18-4-2-1-3-17(18)23-6-5-22-20(23)24;/h1-4,14-16H,5-13H2;1H
InChiKey: GWLNJRGKUHEFCC-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

1-(1-adamantyl)-2-(1,2-dihydroimidazo[2,1-b]benzimidazol-4-yl)ethanone; hydron; bromide
1-Adamantan-1-yl-2-(2,3-dihydro-benzo[d]imidazo[1,2-a]imidazol-9-yl)-ethanone
MLS000035823
SMR000009316

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	arachidonate 15-lipoxygenase, type B	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Echinococcus multilocularis	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma japonicum	ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative	Get druggable targets OG5_127482	All targets in OG5_127482
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723

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 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0281	0.3085	0.3085
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0158	0.1563	0.1563
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0281	0.3085	0.2895
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0158	0.1563	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0452	0.5214	0.5082
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0838	1	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0123	0.1117	0.1117
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0666	0.7871	0.7813
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0452	0.5205	0.5074
Toxoplasma gondii	FATC domain-containing protein	0.0158	0.1563	0.1835
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0054	0.0267	0.0267
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0343	0.0343
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0054	0.0267	0.0267
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0054	0.0267	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.7334	0.7261
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0158	0.1563	0.1332
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.0892	0.0642
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.0267	0.0267
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1117	0.0873
Loa Loa (eye worm)	phosphatidylinositol 3	0.0838	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0281	0.3085	0.2895
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0054	0.0267	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0107	0.0107
Onchocerca volvulus		0.0054	0.0267	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0348	0.3917	0.375
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0054	0.0267	0.0267
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0142	0.1364	0.1364
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0281	0.3085	0.2895
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1788	0.1788
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0054	0.0267	0.5
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0838	1	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0158	0.1563	0.1332
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0343	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1117	0.1117
Loa Loa (eye worm)	phosphatidylinositol 3	0.0054	0.0267	0.0267
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0667	0.788	0.7822
Giardia lamblia	GTOR	0.0838	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.028	0.3069	0.3069
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0501	0.5813	0.5698
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0107	0.0107
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.7334	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0452	0.5205	0.5074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.7334	0.7261
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.0267	0.0267
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0054	0.0267	0.0267
Plasmodium vivax	hypothetical protein, conserved	0.0054	0.0267	0.5
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0838	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0281	0.3085	0.2895
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0054	0.0267	0.5
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0623	0.7334	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0158	0.1563	0.1332
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.7334	0.7261
Schistosoma mansoni	lipoxygenase	0.0142	0.1364	0.1364
Trypanosoma cruzi	target of rapamycin kinase 3	0.0667	0.788	0.7822
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.7334	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0562	0.6575	0.6481
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0158	0.1563	0.1563
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0838	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0225	0.2387	0.2178
Echinococcus multilocularis	serine protein kinase ATM	0.0158	0.1563	0.1563
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0343	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1716	0.1716
Echinococcus multilocularis		0.0054	0.0267	0.0267
Loa Loa (eye worm)	phosphatidylinositol 3	0.0054	0.0267	0.0267
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0054	0.0267	0.0267
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0838	1	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0838	1	1
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0496	0.5751	0.5634
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0452	0.5214	0.5082
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0892	0.0892
Loa Loa (eye worm)	phosphatidylinositol 3	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0501	0.5813	0.5698
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0142	0.1364	0.1364
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0054	0.0267	0.5
Brugia malayi	FAT domain containing protein	0.0123	0.1117	0.1117
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0054	0.0267	0.0267
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0667	0.788	0.7822
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0054	0.0267	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0158	0.1563	0.1332
Loa Loa (eye worm)	hypothetical protein	0.006	0.0343	0.0343
Echinococcus multilocularis	Zinc finger, PHD finger	0.0054	0.0267	0.0267
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0158	0.1563	0.1563
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0666	0.7871	0.7813
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1563	0.1563
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0452	0.5205	0.5074
Schistosoma mansoni	lipoxygenase	0.01	0.0832	0.0832
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.0267	0.0267
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0838	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.7334	0.7261
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0281	0.3085	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0838	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0666	0.7871	0.7813
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0158	0.1563	0.1332
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0054	0.0267	0.0267
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0281	0.3085	0.3085
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0158	0.1563	0.1563
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0054	0.0267	0.0267
Loa Loa (eye worm)	phosphatidylinositol 3	0.0281	0.3085	0.3085
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.0267	0.0267
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0123	0.1117	0.1117
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0281	0.3085	0.2895
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0267	0.0267
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0054	0.0267	0.5
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0054	0.0267	0.0267
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0838	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0177	0.1788	0.2153
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0281	0.3085	0.2895
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0281	0.3085	0.2895
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0281	0.3085	0.3085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0501	0.5813	0.5698
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0158	0.1563	0.1563
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0054	0.0267	0.0267
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0054	0.0267	0.0267
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0838	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0281	0.3085	0.3085
Loa Loa (eye worm)	phosphatidylinositol 3	0.0054	0.0267	0.0267
Entamoeba histolytica	protein kinase rad3, putative	0.0158	0.1563	0.1332
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0838	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0838	1	1
Plasmodium vivax	hypothetical protein	0.0054	0.0267	0.5
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0054	0.0267	0.0267
Brugia malayi	follicle stimulating hormone receptor	0.028	0.3069	0.3069
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0496	0.5751	0.5634
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0104	0.0892	0.0642
Trichomonas vaginalis	conserved hypothetical protein	0.0177	0.1788	0.1563
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0544	0.635	0.625
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0054	0.0267	0.0267
Schistosoma mansoni	hypothetical protein	0.0123	0.1117	0.1117
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0281	0.3085	0.2895
Onchocerca volvulus		0.0054	0.0267	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0158	0.1563	0.1332
Entamoeba histolytica	hypothetical protein	0.0158	0.1563	0.1332
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.7334	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0452	0.5214	0.5082
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0104	0.0892	0.0642
Loa Loa (eye worm)	phosphatidylinositol 3	0.0054	0.0267	0.0267
Schistosoma mansoni	hypothetical protein	0.0041	0.0107	0.0107
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0838	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.0267	0.0267
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0281	0.3085	0.2895
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0158	0.1563	0.1563
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0666	0.7871	0.7813
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0452	0.5214	0.5082
Echinococcus granulosus	serine protein kinase ATM	0.0158	0.1563	0.1563
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.0267	0.0267
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0838	1	1
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0054	0.0267	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0281	0.3085	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0715	0.8479	0.8437
Schistosoma mansoni	hypothetical protein	0.0054	0.0267	0.0267
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0054	0.0267	0.0267
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0054	0.0267	0.0267
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0396	0.4516	0.4366
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0054	0.0267	0.0267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0666	0.7871	0.7813
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0054	0.0267	0.0267
Mycobacterium leprae	conserved hypothetical protein	0.0054	0.0267	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 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)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702]	ChEMBL.	No reference
Potency (functional)	20.5962 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 TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (binding)	= 25.1189 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)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6427 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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (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
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.

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External resources for this compound

ChEMBL: CHEMBL1415738

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1308581