TDR Targets

Basic information

Technical information

TDR Targets ID: 693397
Name: N-[2-(2,3-dihydroindol-1-yl)-2-furan-2-ylethy l]-2-fluorobenzamide
MW: 350.386 | Formula: C21H19FN2O2
H donors: 1 H acceptors: 1 LogP: 3.78 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1F)NCC(N1CCc2c1cccc2)c1ccco1
InChi: 1S/C21H19FN2O2/c22-17-8-3-2-7-16(17)21(25)23-14-19(20-10-5-13-26-20)24-12-11-15-6-1-4-9-18(15)24/h1-10,13,19H,11-12,14H2,(H,23,25)
InChiKey: QUCQRXXCAAHECK-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-fluoro-N-[2-(2-furyl)-2-indolin-1-yl-ethyl]benzamide
2-fluoro-N-[2-(2-furyl)-2-(1-indolinyl)ethyl]benzamide
N-[2-(2,3-dihydroindol-1-yl)-2-furan-2-yl-ethyl]-2-fluoro-benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	growth factor, augmenter of liver regeneration	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)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Leishmania braziliensis	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium berghei	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei gambiense	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Neospora caninum	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	FAD-linked sulfhydryl oxidase ALR, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Brugia malayi	Augmenter of liver regeneration	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania donovani	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium knowlesi	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Loa Loa (eye worm)	hepatopoietin HPO2	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Babesia bovis	human hepatopoietin-like protein, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Theileria parva	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535

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
Mycobacterium ulcerans	beta-lactamase	0.007	0.1362	0.3515
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.061	0.1423
Echinococcus multilocularis	axis inhibition protein axin	0.0021	0.0276	0.039
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0021	0.0276	0.039
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.1362	0.1753
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0276	0.0088
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0035	0.0049
Loa Loa (eye worm)	TK/ROR protein kinase	0.0018	0.0217	0.0183
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.0921	0.1076
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.007	0.1362	0.3515
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0035	0.0082
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.1362	0.3176
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0021	0.0276	0.0242
Entamoeba histolytica	hypothetical protein	0.0021	0.0276	0.1029
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.2785	0.6493
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.061	0.1423
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.6743	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.007	0.1362	0.1206
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.0735	0.0791
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0219	0.0013
Mycobacterium tuberculosis	Probable lipase LipD	0.007	0.1362	0.1206
Loa Loa (eye worm)	PXA domain-containing protein	0.0021	0.0276	0.0242
Brugia malayi	Pre-SET motif family protein	0.0246	0.5283	0.5266
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.436	0.4341
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0219	0.0002
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.436	0.6348
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0219	0.0308
Leishmania major	mitochondrial DNA polymerase beta	0.0313	0.6759	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0148	0.3101	0.4408
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.0735	0.4518
Trypanosoma brucei	hypothetical protein, conserved	0.007	0.1362	0.1749
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0276	0.0644
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.1487	0.1457
Echinococcus granulosus	regulator of G protein signaling 3	0.0021	0.0276	0.039
Echinococcus multilocularis	beta LACTamase domain containing family member	0.007	0.1362	0.1921
Loa Loa (eye worm)	hypothetical protein	0.007	0.1362	0.1332
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0022	0.0297	0.0263
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.104	0.7186
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0779	0.1099
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0021	0.0276	0.0088
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0219	0.0184
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0921	0.1077
Trichomonas vaginalis	esterase, putative	0.007	0.1362	0.1753
Brugia malayi	hypothetical protein	0.0043	0.0779	0.0747
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.6743	1
Brugia malayi	regulator of G-protein signaling rgs-7	0.0021	0.0276	0.0242
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.007	0.1362	0.1332
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.0921	0.0889
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0313	0.6759	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0035	0.0049
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0035	0.0049
Loa Loa (eye worm)	hepatopoietin HPO2	0.0041	0.0735	0.0702
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0217	0.0183
Echinococcus granulosus	expressed protein	0.0021	0.0276	0.039
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.011	0.2261	0.2234
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.0735	0.0789
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0588	0.0555
Schistosoma mansoni	axis inhibition protein axin	0.0021	0.0276	0.0644
Brugia malayi	PXA domain containing protein	0.0021	0.0276	0.0242
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.061	0.0861
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0313	0.6759	1
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0035	0.0049
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.0921	1
Echinococcus multilocularis	axis inhibition protein axin	0.0021	0.0276	0.039
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0246	0.5283	0.5266
Echinococcus granulosus	beta LACTamase domain containing family member	0.007	0.1362	0.1921
Schistosoma mansoni	z-protein (S1r protein)	0.0021	0.0276	0.0644
Schistosoma mansoni	hypothetical protein	0.0047	0.0853	0.1989
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0779	0.1099
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.0921	0.1076
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1487	0.1457
Echinococcus multilocularis	regulator of G protein signaling 3	0.0021	0.0276	0.039
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0313	0.6759	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.061	0.0577
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.436	0.6348
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0791	0.0877
Brugia malayi	beta-lactamase	0.007	0.1362	0.1332
Brugia malayi	regulator of G-protein signaling egl-10	0.0021	0.0276	0.0242
Loa Loa (eye worm)	hypothetical protein	0.011	0.2261	0.2234
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0035	0.0082
Onchocerca volvulus		0.007	0.1362	0.1332
Mycobacterium leprae	Probable lipase LipE	0.007	0.1362	0.5
Schistosoma mansoni	ap endonuclease	0.0018	0.0219	0.051
Echinococcus multilocularis	tumor protein p63	0.0328	0.7092	1
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0036	0.0001
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.1362	0.1753
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0276	0.0088
Echinococcus granulosus	axis inhibition protein axin	0.0021	0.0276	0.039
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0853	0.0821
Schistosoma mansoni	hypothetical protein	0.0035	0.0588	0.1371
Brugia malayi	hypothetical protein	0.0021	0.0276	0.0242
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0297	0.0693
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.6743	1
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.1362	0.1753
Echinococcus granulosus	regulator of G protein signaling 3	0.0021	0.0276	0.039
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.1362	0.1751
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0134	0.2785	0.3927
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.0735	0.0791
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.1362	0.1753
Loa Loa (eye worm)	hypothetical protein	0.007	0.1362	0.1332
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0219	0.0002
Toxoplasma gondii	ABC1 family protein	0.007	0.1362	1
Loa Loa (eye worm)	RGS-3 protein	0.0021	0.0276	0.0242
Mycobacterium ulcerans	hypothetical protein	0.0165	0.3473	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.1362	0.1332
Loa Loa (eye worm)	beta-lactamase	0.007	0.1362	0.1332
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.2565	0.3616
Schistosoma mansoni	serine/threonine protein kinase	0.0201	0.429	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0588	0.1371
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0276	0.0644
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0201	0.429	0.6049
Mycobacterium tuberculosis	Conserved protein	0.007	0.1362	0.1206
Echinococcus multilocularis	cpg binding protein	0.003	0.0482	0.068
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0039	0.0054
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0219	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.436	0.6348
Plasmodium vivax	SET domain protein, putative	0.0036	0.061	0.3434
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0276	0.0242
Echinococcus granulosus	Regulator of G protein signaling 20	0.0021	0.0276	0.039
Entamoeba histolytica	hypothetical protein	0.0021	0.0276	0.1029
Plasmodium vivax	hypothetical protein, conserved	0.007	0.1362	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0035	0.0049
Mycobacterium tuberculosis	Conserved protein	0.007	0.1362	0.1206
Echinococcus granulosus	axis inhibition protein axin	0.0021	0.0276	0.039
Brugia malayi	beta-lactamase family protein	0.007	0.1362	0.1332
Echinococcus granulosus	regulator of G protein signaling 7	0.0021	0.0276	0.039
Brugia malayi	A-kinase anchor protein 10, precursor	0.0021	0.0276	0.0242
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0035	0.0082
Trypanosoma brucei	protein kinase, putative	0.005	0.0921	0.1074
Brugia malayi	MAP kinase sur-1	0.005	0.0921	0.0889
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.436	0.6348
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.6743	0.6732
Schistosoma mansoni	hypothetical protein	0.0124	0.2565	0.5978
Loa Loa (eye worm)	hypothetical protein	0.007	0.1362	0.1332
Mycobacterium ulcerans	lipase LipD	0.007	0.1362	0.3515
Loa Loa (eye worm)	runx1	0.0058	0.1092	0.1061
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0201	0.429	0.6049
Schistosoma mansoni	cpg binding protein	0.003	0.0482	0.1124
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0276	0.0644
Toxoplasma gondii	exonuclease III APE	0.0018	0.0219	0.0013
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.0921	0.1299
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0921	0.1077
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.061	0.1423
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0021	0.0276	0.039
Echinococcus multilocularis	regulator of G protein signaling 7	0.0021	0.0276	0.039
Echinococcus multilocularis	regulator of G protein signaling 3	0.0021	0.0276	0.039
Schistosoma mansoni	hypothetical protein	0.0018	0.0217	0.0506
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.0735	0.4518
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0041	0.0735	0.1036
Mycobacterium tuberculosis	Conserved protein	0.007	0.1362	0.1206
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0276	0.0242
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0879	0.205
Schistosoma mansoni	ap endonuclease	0.0018	0.0219	0.051
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0791	0.0877
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.0921	0.1076
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0791	0.0875
Leishmania major	hypothetical protein, conserved	0.0041	0.0735	0.0791
Echinococcus granulosus	regulator of G protein signaling 7	0.0021	0.0276	0.039
Echinococcus multilocularis	tissue type plasminogen activator	0.0018	0.0217	0.0306
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0276	0.0088
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.061	0.3434
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.061	0.1423
Loa Loa (eye worm)	hypothetical protein	0.007	0.1362	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0458	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.1362	0.1751
Echinococcus multilocularis	expressed protein	0.0021	0.0276	0.039
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0035	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0458	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.011	0.2261	0.2234
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.007	0.1362	0.1206
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0021	0.0276	0.039
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0035	0.0049
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.4605	0.6723
Schistosoma mansoni	cpg binding protein	0.0028	0.0446	0.104
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0921	0.1076
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0588	0.083
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0853	0.1989
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0791	0.0877
Onchocerca volvulus		0.028	0.6037	0.6023
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0035	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0036	0.061	0.0577
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.6743	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0879	0.0847
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0921	0.1076
Echinococcus multilocularis	regulator of G protein signaling 7	0.0021	0.0276	0.039
Mycobacterium tuberculosis	Probable hydrolase	0.007	0.1362	0.1206
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0054	0.1004	0.1203
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0035	0.0049
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.061	0.0861
Entamoeba histolytica	hypothetical protein	0.0043	0.0779	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0219	0.0184
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.0921	0.6145
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.0735	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.061	0.0861
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0021	0.0276	0.0644
Echinococcus granulosus	GPCR family 2	0.0035	0.0588	0.083
Schistosoma mansoni	hypothetical protein	0.0035	0.0588	0.1371
Entamoeba histolytica	hypothetical protein	0.0043	0.0779	1
Onchocerca volvulus		0.0048	0.0879	0.0847
Mycobacterium ulcerans	hypothetical protein	0.007	0.1362	0.3515
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0446	0.0413
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.1362	0.3176
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.0921	0.1076
Onchocerca volvulus		0.0018	0.0217	0.0183
Entamoeba histolytica	hypothetical protein	0.0021	0.0276	0.1029
Echinococcus granulosus	survival motor neuron protein 1	0.0229	0.4908	0.692
Onchocerca volvulus		0.007	0.1362	0.1332
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.6743	1
Schistosoma mansoni	lozenge	0.0058	0.1092	0.2545
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.2785	0.6493
Echinococcus multilocularis	G protein coupled receptor kinase 1	0.0181	0.3828	0.5397
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0035	0.0049
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0035	0.0049
Brugia malayi	hypothetical protein	0.0229	0.4908	0.489
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0021	0.0276	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0276	0.0242
Entamoeba histolytica	hypothetical protein	0.0043	0.0779	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0445	0.9706	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0779	0.1817
Mycobacterium leprae	conserved hypothetical protein	0.007	0.1362	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0035	0.0049
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.436	0.6348
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0276	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0588	0.0555
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0276	0.0242
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0035	0.0082
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0276	0.0644
Echinococcus granulosus	cpg binding protein	0.003	0.0482	0.068
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0276	0.0088
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.007	0.1362	0.1332
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0035	0.0049
Schistosoma mansoni	cpg binding protein	0.003	0.0482	0.1124
Echinococcus multilocularis	Protein lozenge	0.0058	0.1092	0.154
Loa Loa (eye worm)	hypothetical protein	0.007	0.1362	0.1332
Echinococcus granulosus	G protein coupled receptor kinase 1	0.0181	0.3828	0.5397
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.0921	0.1299
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0035	0.0049
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0219	0.0002
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0035	0.0082
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0148	0.3101	0.4408
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0276	0.0088
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0568	0.0801
Echinococcus granulosus	tissue type plasminogen activator	0.0018	0.0217	0.0306
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0921	0.2147
Onchocerca volvulus		0.0028	0.0446	0.0413
Brugia malayi	beta-lactamase family protein	0.007	0.1362	0.1332
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.0735	0.4518
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0039	0.0054
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0446	0.0413
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0035	0.0049
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0921	0.1077
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.4605	0.6723
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0021	0.0276	0.0644
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.436	0.6348
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0276	0.0644
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0219	0.5
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0021	0.0276	0.0242
Mycobacterium tuberculosis	Probable lipase LipE	0.007	0.1362	0.1206
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.1362	0.1753
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.436	0.6348
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.011	0.2261	0.2234
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0276	0.0242
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0035	0.0082
Onchocerca volvulus		0.0036	0.061	0.0577
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.2565	0.3616
Schistosoma mansoni	hypothetical protein	0.0035	0.0588	0.1371
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.6743	0.6732
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0035	0.0082
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.0921	0.1299
Echinococcus multilocularis	regulator of G protein signaling	0.0021	0.0276	0.039
Brugia malayi	Augmenter of liver regeneration	0.0041	0.0735	0.0702
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0021	0.0276	0.0644
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0588	0.083
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0588	0.083
Schistosoma mansoni	axis inhibition protein axin	0.0021	0.0276	0.0644
Onchocerca volvulus		0.0458	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0921	0.1077
Echinococcus granulosus	tumor protein p63	0.0328	0.7092	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0035	0.0082
Toxoplasma gondii	hypothetical protein	0.005	0.0934	0.6263
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0588	0.0555
Schistosoma mansoni	coup transcription factor	0.001	0.0035	0.0082
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0165	0.3473	0.343
Leishmania major	hypothetical protein, conserved	0.007	0.1362	0.1751
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	0.4908	0.692
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0219	0.0308
Schistosoma mansoni	serine/threonine protein kinase	0.0201	0.429	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0035	0.0049
Trichomonas vaginalis	set domain proteins, putative	0.028	0.6037	0.8917
Mycobacterium ulcerans	esterase/lipase LipP	0.007	0.1362	0.3515
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.6743	1
Brugia malayi	PXA domain containing protein	0.0021	0.0276	0.0242
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.0921	0.1074
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0588	0.083
Onchocerca volvulus		0.0047	0.0853	0.0821
Brugia malayi	Kringle domain containing protein	0.0018	0.0217	0.0183
Brugia malayi	hypothetical protein	0.0021	0.0276	0.0242
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0022	0.0297	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0229	0.4908	0.489
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.1183	0.2759
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0276	0.0242
Mycobacterium tuberculosis	Probable esterase LipL	0.007	0.1362	0.1206
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0039	0.0004
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0041	0.0735	0.1036
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0779	0.1817
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.0735	0.0791
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0035	0.0049
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0201	0.429	0.427
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0217	0.0183
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0148	0.3101	0.4407
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0219	0.0029
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.007	0.1362	0.1206
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0588	0.083
Schistosoma mansoni	hypothetical protein	0.0075	0.1487	0.3466
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0588	0.0555
Entamoeba histolytica	hypothetical protein	0.0043	0.0779	1
Onchocerca volvulus		0.007	0.1362	0.1332
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0035	0.0049
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.0921	0.1299
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0035	0.0082

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	= 1.67 uM	PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]	ChEMBL.	No reference
Potency (functional)	0.1413 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	1.8356 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)	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)	11.6891 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)	19.9526 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	56.2341 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)	70.7946 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
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1399184
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 693397