TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 287.375 | Formula: C17H22FN3
H donors: 2 H acceptors: 0 LogP: 3.79 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N=C(NC12CC3CC(C2)CC(C1)C3)Nc1ccccc1F
InChi: 1S/C17H22FN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)
InChiKey: YRKFCVXZQYHKEJ-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	sigma non-opioid intracellular receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	jun protein	0.0177	0.272	0.7319
Echinococcus multilocularis	FTZ F1 alpha	0.0108	0.1466	0.3654
Echinococcus multilocularis	transcription factor Dp 1	0.0084	0.1049	0.2599
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Onchocerca volvulus		0.0108	0.1466	0.1753
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0177	0.272	0.7319
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.004	0.0252	0.062
Brugia malayi	hypothetical protein	0.0139	0.2035	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1466	0.1466
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0051	0.0442	0.0442
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0051	0.0442	0.1135
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0232	0.3708	0.9336
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0015	0.0015
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0108	0.1466	0.1466
Brugia malayi	Inositol-1	0.0037	0.0193	0.0193
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0125	0.0275
Onchocerca volvulus		0.0028	0.0024	0.0028
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0108	0.1466	0.1466
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0162	0.2449	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Brugia malayi	Steroid receptor seven-up type 2	0.0108	0.1466	0.1466
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2209	0.2209
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0123	0.0503
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0193	0.0429
Schistosoma mansoni	retinoic acid receptor RXR	0.0108	0.1466	0.3654
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0146	0.2157	0.2673
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0108	0.1466	0.3654
Schistosoma mansoni	hypothetical protein	0.0139	0.2032	0.5088
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0274	0.0098
Brugia malayi	tailless protein	0.0051	0.0442	0.0442
Brugia malayi	photoreceptor-specific nuclear receptor	0.0108	0.1466	0.1466
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1466	0.1466
Brugia malayi	hypothetical protein	0.0057	0.0551	0.0551
Brugia malayi	ecdysteroid receptor	0.0108	0.1466	0.1466
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0125	0.0125
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0274	0.0678
Onchocerca volvulus		0.0139	0.2035	0.2433
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0108	0.1466	0.3654
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0146	0.2157	0.2861
Entamoeba histolytica	hypothetical protein	0.004	0.0245	0.1134
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0245	0.056
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0108	0.1466	0.3654
Onchocerca volvulus		0.0051	0.0442	0.0528
Brugia malayi	steroid hormone receptor	0.0108	0.1466	0.1466
Echinococcus granulosus	thymidylate synthase	0.0162	0.2449	0.6584
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0141	0.2065	0.5174
Echinococcus granulosus	ecdysone induced protein 78C	0.0108	0.1466	0.3914
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0551	0.0551
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0108	0.1466	0.1466
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1466	0.1466
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0162	0.2449	0.3072
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0108	0.1466	0.3914
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0128	0.183	0.747
Echinococcus multilocularis	nuclear receptor nhr 48	0.0051	0.0442	0.1059
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0108	0.1466	0.3914
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1466	0.1466
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.004	0.0252	0.0181
Brugia malayi	hypothetical protein	0.004	0.0245	0.0245
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0108	0.1466	0.1466
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0108	0.1466	0.3654
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0108	0.1466	0.1466
Leishmania major	C-8 sterol isomerase-like protein	0.0445	0.7539	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0077	0.0917	0.0986
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0445	0.7539	0.7539
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0146	0.2157	0.579
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.1994	0.5348
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0274	0.0357
Schistosoma mansoni	aldehyde dehydrogenase	0.0128	0.183	0.4576
Brugia malayi	hypothetical protein	0.0051	0.0442	0.0442
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0108	0.1466	0.1466
Echinococcus granulosus	GPCR family 2	0.0033	0.0125	0.0275
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.0252	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Schistosoma mansoni	ap endonuclease	0.004	0.0252	0.0579
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0193	0.0429
Schistosoma mansoni	nuclear receptor	0.0051	0.0442	0.1059
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0108	0.1466	0.1466
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0051	0.0442	0.1059
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.0917	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.004	0.0252	0.5
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0193	0.0256
Entamoeba histolytica	hypothetical protein	0.004	0.0245	0.1134
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0051	0.0442	0.1059
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0643	0.0643
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0108	0.1466	0.3914
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0437	0.1048
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0108	0.1466	0.3654
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0051	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.049	0.8361	0.8361
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0051	0.0442	0.1059
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0274	0.1112
Schistosoma mansoni	hypothetical protein	0.0033	0.0125	0.0257
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.004	0.0252	0.0334
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0051	0.0442	0.0442
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.1416	0.1416
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0108	0.1466	0.3654
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.004	0.0252	0.008
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0162	0.2449	0.6147
Brugia malayi	Nuclear hormone receptor-like 1	0.0057	0.0551	0.0551
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0193	0.0429
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0232	0.3708	0.9336
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0108	0.1466	0.1466
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0193	0.0895
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1416	0.1416
Brugia malayi	nuclear hormone receptor	0.0108	0.1466	0.1466
Onchocerca volvulus	Bile acid receptor homolog	0.0108	0.1466	0.1753
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.004	0.0252	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0551	0.0551
Brugia malayi	nuclear hormone receptor	0.0051	0.0442	0.0442
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0139	0.2032	0.5088
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0128	0.183	0.4576
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0051	0.0442	0.0528
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0437	0.1122
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0108	0.1466	0.3654
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.1416	0.1416
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0643	0.1569
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0108	0.1466	0.1466
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2633	0.2633
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0108	0.1466	0.1466
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0437	0.0437
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0437	0.1122
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0108	0.1466	0.1466
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0193	0.0788
Onchocerca volvulus		0.0162	0.2449	0.293
Schistosoma mansoni	hypothetical protein	0.0144	0.2122	0.5317
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0108	0.1466	0.1466
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Echinococcus granulosus	nuclear receptor nhr 48	0.0051	0.0442	0.1135
Echinococcus multilocularis	jun protein	0.0177	0.272	0.6833
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0643	0.1569
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0146	0.2157	0.5405
Schistosoma mansoni	hypothetical protein	0.0033	0.0125	0.0257
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0051	0.0442	0.1059
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0146	0.2157	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0051	0.0442	0.1059
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0125	0.0125
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.004	0.0252	0.008
Echinococcus granulosus	hormone sensitive lipase	0.0232	0.3708	1
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	0.7539	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0108	0.1466	0.3654
Schistosoma mansoni	ap endonuclease	0.004	0.0252	0.0579
Brugia malayi	nuclear hormone receptor family member odr-7	0.0051	0.0442	0.0442
Brugia malayi	ecdysone receptor	0.0051	0.0442	0.0442
Toxoplasma gondii	exonuclease III APE	0.004	0.0252	0.0261
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0024	0.0024
Echinococcus granulosus	FTZ F1 alpha	0.0108	0.1466	0.3914
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0162	0.2449	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0437	0.1048
Loa Loa (eye worm)	acetyltransferase	0.0141	0.2065	0.2065
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0051	0.0442	0.1135
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0146	0.2157	0.2673
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0139	0.2032	0.545
Echinococcus granulosus	muscleblind protein	0.0149	0.2209	0.593
Schistosoma mansoni	nuclear hormone receptor	0.0051	0.0442	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0232	0.3708	0.3708
Brugia malayi	hypothetical protein	0.049	0.8361	0.8361
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0146	0.2157	0.5405
Schistosoma mansoni	nuclear receptor	0.0051	0.0442	0.1059
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0125	0.0275
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0108	0.1466	0.1466
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0051	0.0442	0.0442
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0437	0.0437
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0146	0.2157	0.2673
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0643	0.0643
Loa Loa (eye worm)	runx1	0.0062	0.0635	0.0635
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0162	0.2449	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0242	0.389	0.389
Schistosoma mansoni	lozenge	0.0062	0.0635	0.155
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0051	0.0442	0.1135
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0643	0.0643
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0108	0.1466	0.3654
Brugia malayi	Nuclear hormone receptor E75	0.0051	0.0442	0.0442
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0108	0.1466	0.3654
Echinococcus multilocularis	thymidylate synthase	0.0162	0.2449	0.6147
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0108	0.1466	0.3914
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1466	0.1466
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0141	0.2065	0.5174
Loa Loa (eye worm)	nuclear hormone receptor	0.0051	0.0442	0.0442
Brugia malayi	conserved hypotetical protein	0.0051	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0551	0.0551
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0108	0.1466	0.3654
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.004	0.0252	0.1168
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0211	0.098
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2209	0.2209
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0437	0.1048
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0051	0.0442	0.1135
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1466	0.1466
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0108	0.1466	0.3914
Brugia malayi	hypothetical protein	0.0057	0.0551	0.0551
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0051	0.0442	0.1059
Schistosoma mansoni	hypothetical protein	0.004	0.0245	0.056
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0162	0.2449	1
Loa Loa (eye worm)	DR-78	0.0051	0.0442	0.0442
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0108	0.1466	0.1466
Mycobacterium ulcerans	thymidylate synthase	0.0162	0.2449	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0643	0.1569
Schistosoma mansoni	thyroid hormone receptor	0.0247	0.397	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0108	0.1466	0.3654
Onchocerca volvulus		0.0028	0.0024	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0643	0.1569
Onchocerca volvulus		0.049	0.8361	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0057	0.0551	0.1432
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.004	0.0252	0.008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Brugia malayi	hypothetical protein	0.0077	0.0917	0.0917
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0146	0.2157	0.2157
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0123	0.0503
Brugia malayi	Nuclear hormone receptor-like 1	0.0057	0.0551	0.0551
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0128	0.183	0.747
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0232	0.3708	0.9336
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0227	0.3622	0.3622
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0057	0.0551	0.0551
Echinococcus granulosus	thyroid hormone receptor alpha	0.0051	0.0442	0.1135
Entamoeba histolytica	hypothetical protein	0.004	0.0245	0.1134
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0643	0.0643
Entamoeba histolytica	hypothetical protein	0.004	0.0245	0.1134
Mycobacterium tuberculosis	Hypothetical protein	0.0077	0.0917	0.3745
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.1416	0.1416
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0551	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1466	0.1466
Brugia malayi	nuclear receptor NHR-67	0.0051	0.0442	0.0442
Echinococcus granulosus	transcription factor Dp 1	0.0084	0.1049	0.2784
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0162	0.2449	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0108	0.1466	0.1466
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0128	0.183	0.4902
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0177	0.272	0.6833
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0125	0.0257
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0247	0.397	1
Brugia malayi	nuclear receptor RXR	0.0057	0.0551	0.0551
Brugia malayi	Nuclear hormone receptor E75	0.0051	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0819	0.0819
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.0252	0.0814
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0057	0.0551	0.1337
Schistosoma mansoni	hypothetical protein	0.0033	0.0125	0.0257
Toxoplasma gondii	aldehyde dehydrogenase	0.0128	0.183	0.7253
Schistosoma mansoni	nuclear hormone receptor	0.0108	0.1466	0.3654
Brugia malayi	RNA binding protein	0.0062	0.0643	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0445	0.7539	0.7539
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.004	0.0252	0.0579
Echinococcus multilocularis	ecdysone induced protein 78C	0.0108	0.1466	0.3654
Brugia malayi	intermediate filament protein	0.0028	0.0024	0.0024
Echinococcus multilocularis	hormone sensitive lipase	0.0232	0.3708	0.9336
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0643	0.1569
Echinococcus multilocularis	muscleblind protein	0.0149	0.2209	0.5536
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0108	0.1466	0.1466
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0057	0.0551	0.1337
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0274	0.1112
Schistosoma mansoni	aldehyde dehydrogenase	0.0128	0.183	0.4576
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0245	0.056
Onchocerca volvulus	Protein ultraspiracle homolog	0.0108	0.1466	0.1753
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0437	0.1048
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0108	0.1466	0.1466
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0108	0.1466	0.3654
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0108	0.1466	0.3654
Brugia malayi	Nuclear hormone receptor-like 1	0.0108	0.1466	0.1466
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0051	0.0442	0.0528
Schistosoma mansoni	coup transcription factor	0.0108	0.1466	0.3654
Loa Loa (eye worm)	hypothetical protein	0.0581	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0108	0.1466	0.1466
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0108	0.1466	0.1753
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Loa Loa (eye worm)	thymidylate synthase	0.0162	0.2449	0.2449
Brugia malayi	nuclear receptor NHR-88	0.0051	0.0442	0.0442
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0108	0.1466	0.3914
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0108	0.1466	0.1466
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0819	0.0819
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0051	0.0442	0.1059
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0128	0.183	0.747
Schistosoma mansoni	zinc finger protein	0.0051	0.0442	0.1059
Brugia malayi	hypothetical protein	0.0051	0.0442	0.0442
Brugia malayi	follicle stimulating hormone receptor	0.0242	0.389	0.389
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0024	0.0024
Schistosoma mansoni	hypothetical protein	0.0033	0.0125	0.0257
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.2209	0.5536
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0162	0.2449	0.3072
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0128	0.183	0.747
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0643	0.1681
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0442	0.0442
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0125	0.0125
Brugia malayi	TAR-binding protein	0.0062	0.0643	0.0643
Brugia malayi	orphan nuclear receptor NR2E1	0.0051	0.0442	0.0442
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0146	0.2157	0.2157
Echinococcus multilocularis	Protein lozenge	0.0062	0.0635	0.155
Brugia malayi	thymidylate synthase	0.0162	0.2449	0.2449
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0162	0.2449	0.3249
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0108	0.1466	0.3914
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0643	0.1569
Brugia malayi	nuclear receptor RXR	0.0051	0.0442	0.0442
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0437	0.1048
Schistosoma mansoni	thyroid hormone receptor	0.0247	0.397	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0551	0.0551
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0108	0.1466	0.1466
Loa Loa (eye worm)	steroid hormone receptor	0.0108	0.1466	0.1466
Schistosoma mansoni	jun-related protein	0.0144	0.2122	0.5317
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	0.7539	1
Loa Loa (eye worm)	hypothetical protein	0.049	0.8361	0.8361
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0051	0.0442	0.1059
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0193	0.046
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.004	0.0252	0.0252
Schistosoma mansoni	nuclear hormone receptor	0.0051	0.0442	0.1059
Brugia malayi	acetyltransferase, GNAT family protein	0.0141	0.2065	0.2065
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.004	0.0252	0.1029
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0057	0.0551	0.1337
Brugia malayi	bZIP transcription factor family protein	0.0177	0.272	0.272
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0125	0.0125
Brugia malayi	nuclear receptor NHR-88	0.0108	0.1466	0.1466
Brugia malayi	Muscleblind-like protein	0.0149	0.2209	0.2209
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0125	0.0257
Brugia malayi	exodeoxyribonuclease III family protein	0.004	0.0252	0.0252
Onchocerca volvulus		0.0051	0.0442	0.0528
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0245	0.06
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0274	0.0357
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0128	0.183	0.2427
Loa Loa (eye worm)	inositol-1	0.0037	0.0193	0.0193
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.004	0.0252	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1466	0.1466
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0125	0.0257
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.004	0.0252	0.1029
Schistosoma mansoni	hypothetical protein	0.0072	0.0819	0.2014

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8 nM	Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain	ChEMBL.	1648140
IC50 (binding)	= 8 nM	Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain	ChEMBL.	1648140

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 81981