TDR Targets

Basic information

Technical information

TDR Targets ID: 1197395
Name: 4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)- 4-oxo-N-[3-[4-(phenylmethyl)piperidin-1-yl]pr opyl]butanamide
MW: 484.03 | Formula: C27H34ClN3O3
H donors: 1 H acceptors: 2 LogP: 3.93 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CCC(=O)N1CCOc2c1cc(Cl)cc2)NCCCN1CCC(CC1)Cc1ccccc1
InChi: 1S/C27H34ClN3O3/c28-23-7-8-25-24(20-23)31(17-18-34-25)27(33)10-9-26(32)29-13-4-14-30-15-11-22(12-16-30)19-21-5-2-1-3-6-21/h1-3,5-8,20,22H,4,9-19H2,(H,29,32)
InChiKey: KQWMLSKVICKNJX-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

4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[3-[4-(phenylmethyl)-1-piperidyl]propyl]butanamide
4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]butanamide
N-[3-[4-(benzyl)-1-piperidyl]propyl]-4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-4-keto-butyramide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Trypanosoma brucei gambiense	ATP-dependent phosphofructokinase,6-phospho-1-fructokinase		No references
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania mexicana	6-phospho-1-fructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania infantum	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C)	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania major	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Echinococcus multilocularis	6 phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania braziliensis	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C)	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma japonicum	ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma congolense	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma mansoni	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	6 phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	hypothetical protein	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei gambiense	ATP-dependent phosphofructokinase,6-phospho-1-fructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C)	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania donovani	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium ulcerans	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C)	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
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 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0142	1
Brugia malayi	glutaminase DH11.1	0.033	0.1314	0.131
Echinococcus granulosus	ferritin	0.001	0.0007	0.0007
Schistosoma mansoni	polycystin 1-related	0.002	0.0045	0.0045
Echinococcus granulosus	Regulator of G protein signaling 20	0.0245	0.0966	0.1073
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.221	0.8999	0.8998
Loa Loa (eye worm)	hypothetical protein	0.006	0.0211	0.0206
Schistosoma mansoni	apoferritin-2	0.001	0.0007	0.0007
Schistosoma mansoni	ferritin	0.001	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0133	0.0128
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0107	0.0102
Schistosoma mansoni	hypothetical protein	0.0019	0.0043	0.0043
Onchocerca volvulus		0.0043	0.0142	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0142	0.1242
Loa Loa (eye worm)	RGS-3 protein	0.0245	0.0966	0.0961
Schistosoma mansoni	axis inhibition protein axin	0.0245	0.0966	0.0966
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0142	0.0138
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0142	0.1242
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0142	0.1039
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0156	0.0173
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0142	0.0158
Mycobacterium ulcerans	6-phosphofructokinase	0.0131	0.0501	0.3783
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.011	1
Echinococcus multilocularis	expressed protein	0.0245	0.0966	0.1073
Echinococcus multilocularis	6 phosphofructokinase	0.0131	0.0501	0.0557
Echinococcus granulosus	regulator of G protein signaling 3	0.0245	0.0966	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0142	0.0138
Onchocerca volvulus		0.0043	0.0142	1
Schistosoma mansoni	lipoxygenase	0.0055	0.0189	0.0189
Schistosoma mansoni	apoferritin-2	0.001	0.0007	0.0007
Brugia malayi	hypothetical protein	0.0245	0.0966	0.0961
Echinococcus granulosus	expressed protein	0.001	0.0007	0.0007
Trichomonas vaginalis	esterase, putative	0.0043	0.0142	0.1039
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0131	0.0501	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0142	0.1242
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0501	0.4573
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0554	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0966	0.0961
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0043	0.0047
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.0189	0.021
Onchocerca volvulus		0.0035	0.0107	0.6316
Trichomonas vaginalis	conserved hypothetical protein	0.0245	0.0966	0.7337
Echinococcus multilocularis	regulator of G protein signaling 3	0.0245	0.0966	0.1073
Brugia malayi	6-phosphofructokinase	0.0131	0.0501	0.0497
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0211	0.0206
Echinococcus granulosus	GPCR family 2	0.0019	0.0043	0.0047
Brugia malayi	MH2 domain containing protein	0.0144	0.0554	0.0549
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0156	0.0173
Trichomonas vaginalis	conserved hypothetical protein	0.0245	0.0966	0.7337
Echinococcus multilocularis	axis inhibition protein axin	0.0245	0.0966	0.1073
Mycobacterium ulcerans	glutaminase	0.033	0.1314	1
Trichomonas vaginalis	conserved hypothetical protein	0.0245	0.0966	0.7337
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0156	0.0156
Brugia malayi	PXA domain containing protein	0.0245	0.0966	0.0961
Brugia malayi	regulator of G-protein signaling rgs-7	0.0245	0.0966	0.0961
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0005	0.0005
Brugia malayi	beta-lactamase family protein	0.0043	0.0142	0.0138
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0554	0.0549
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.0501	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0142	0.1242
Schistosoma mansoni	smad	0.001	0.0005	0.0005
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.011	0.5
Schistosoma mansoni	smad1 5 8 and	0.001	0.0005	0.0005
Schistosoma mansoni	cpg binding protein	0.0035	0.0107	0.0107
Schistosoma mansoni	ferritin light chain	0.001	0.0007	0.0007
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0233	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0156	0.0156
Schistosoma mansoni	hypothetical protein	0.0019	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0019	0.0043	0.0043
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.011	0.0789
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0142	0.1242
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.011	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0142	0.0138
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0142	0.2747
Echinococcus granulosus	regulator of G protein signaling 3	0.0245	0.0966	0.1073
Schistosoma mansoni	regulator of G protein signaling	0.0245	0.0966	0.0966
Echinococcus granulosus	axis inhibition protein axin	0.0245	0.0966	0.1073
Schistosoma mansoni	ferritin light chain	0.001	0.0007	0.0007
Schistosoma mansoni	regulator of G protein signaling	0.0245	0.0966	0.0966
Loa Loa (eye worm)	glutaminase	0.033	0.1314	0.131
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0142	0.1242
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0005	0.0005
Schistosoma mansoni	loxhd1	0.002	0.0045	0.0045
Brugia malayi	regulator of G-protein signaling egl-10	0.0245	0.0966	0.0961
Echinococcus granulosus	RUN	0.002	0.0045	0.005
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0142	0.1242
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0142	0.0142
Echinococcus granulosus	6 phosphofructokinase	0.0131	0.0501	0.0557
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0043	0.0047
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0142	0.0142
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0.0007	0.5
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0045	0.005
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.011	0.5
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0245	0.0966	0.0961
Echinococcus multilocularis	ferritin	0.001	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0142	0.0138
Echinococcus multilocularis	axis inhibition protein axin	0.0245	0.0966	0.1073
Echinococcus multilocularis	regulator of G protein signaling 7	0.0245	0.0966	0.1073
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0245	0.0966	0.0961
Schistosoma mansoni	ferritin	0.001	0.0007	0.0007
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0142	0.2747
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0966	0.0961
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0142	0.1039
Echinococcus multilocularis	regulator of G protein signaling 3	0.0245	0.0966	0.1073
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0211	0.0206
Trichomonas vaginalis	conserved hypothetical protein	0.0245	0.0966	0.7337
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.221	0.8999	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0043	0.0038
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0043	0.0047
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.221	0.8999	0.8998
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0156	0.0156
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.1984	0.2204
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0142	0.1039
Echinococcus granulosus	regulator of G protein signaling 7	0.0245	0.0966	0.1073
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0142	0.1242
Schistosoma mansoni	cpg binding protein	0.0037	0.0115	0.0115
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0005	0.0005
Schistosoma mansoni	rab6-interacting	0.002	0.0045	0.0045
Toxoplasma gondii	ABC1 family protein	0.0043	0.0142	0.2651
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0142	0.1242
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0245	0.0966	0.0966
Echinococcus granulosus	axis inhibition protein axin	0.0245	0.0966	0.1073
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0251	0.099	0.0986
Echinococcus multilocularis	transcription factor eb	0.013	0.0498	0.0553
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.013	0.0498	0.0493
Schistosoma mansoni	hypothetical protein	0.002	0.0045	0.0045
Brugia malayi	phosphofructokinase	0.0131	0.0501	0.0497
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0251	0.099	0.11
Echinococcus granulosus	Smad4	0.001	0.0005	0.0005
Brugia malayi	PXA domain containing protein	0.0245	0.0966	0.0961
Schistosoma mansoni	regulator of G protein signaling	0.0245	0.0966	0.0966
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.221	0.8999	0.8998
Brugia malayi	hypothetical protein	0.002	0.0045	0.004
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0966	0.0961
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0245	0.0966	0.0966
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0245	0.0966	0.7337
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0043	0.0047
Schistosoma mansoni	rab6-interacting	0.002	0.0045	0.0045
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0045	0.005
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0043	0.0038
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0501	0.3783
Leishmania major	ATP-dependent phosphofructokinase	0.0131	0.0501	1
Echinococcus multilocularis	regulator of G protein signaling	0.0245	0.0966	0.1073
Schistosoma mansoni	lipoxygenase	0.002	0.0045	0.0045
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0131	0.0501	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0045	0.004
Echinococcus multilocularis	regulator of G protein signaling 7	0.0245	0.0966	0.1073
Trichomonas vaginalis	conserved hypothetical protein	0.0245	0.0966	0.7337
Trichomonas vaginalis	glutaminase, putative	0.033	0.1314	1
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0966	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0142	0.0138
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0501	0.4573
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.013	0.0495	0.049
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0501	0.3783
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0156	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0142	0.0138
Echinococcus multilocularis	cpg binding protein	0.0037	0.0115	0.0127
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0045	0.005
Schistosoma mansoni	glutaminase	0.033	0.1314	0.1314
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0043	0.0038
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.221	0.8999	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0043	0.0038
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0501	0.3783
Entamoeba histolytica	hypothetical protein	0.0245	0.0966	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.011	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.011	0.0789
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0245	0.0966	0.1073
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.2455	1	1
Schistosoma mansoni	smad1 5 8 and	0.001	0.0005	0.0005
Schistosoma mansoni	regulator of G protein signaling	0.0245	0.0966	0.0966
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0142	0.0158
Brugia malayi	A-kinase anchor protein 10, precursor	0.0245	0.0966	0.0961
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0142	0.1039
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.0189	0.021
Brugia malayi	6-phosphofructokinase	0.0131	0.0501	0.0497
Loa Loa (eye worm)	glutaminase 2	0.033	0.1314	0.131
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0142	0.1039
Loa Loa (eye worm)	phosphofructokinase	0.0131	0.0501	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0966	0.0961
Echinococcus multilocularis	smad	0.001	0.0005	0.0005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0211	0.0206
Echinococcus granulosus	transcription factor eb	0.013	0.0498	0.0553
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0251	0.099	0.11
Schistosoma mansoni	Smad4	0.001	0.0005	0.0005
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0035	0.011	0.5
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0245	0.0966	0.1073
Echinococcus granulosus	regulator of G protein signaling 7	0.0245	0.0966	0.1073
Schistosoma mansoni	serine/threonine protein kinase	0.0251	0.099	0.099
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0245	0.0966	0.1073
Brugia malayi	beta-lactamase	0.0043	0.0142	0.0138
Echinococcus granulosus	smad	0.001	0.0005	0.0005
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0107	0.0102
Brugia malayi	Doublecortin family protein	0.002	0.0045	0.004
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0008	0.0003
Schistosoma mansoni	smad1 5 8 and	0.001	0.0005	0.0005
Echinococcus multilocularis	RUN	0.002	0.0045	0.005
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.0501	0.0501
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0142	0.1039
Echinococcus multilocularis	Smad4	0.001	0.0005	0.0005
Schistosoma mansoni	regulator of G protein signaling	0.0245	0.0966	0.0966
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0142	0.0138
Schistosoma mansoni	axis inhibition protein axin	0.0245	0.0966	0.0966
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0245	0.0966	0.0961
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0043	0.0047
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0265	0.0265
Echinococcus granulosus	cpg binding protein	0.0037	0.0115	0.0127
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0133	0.0128
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0142	0.1242
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0005	0.0005
Schistosoma mansoni	serine/threonine protein kinase	0.0251	0.099	0.099
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.0501	0.0501
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0245	0.0966	0.0966
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0142	0.1039
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0045	0.004
Echinococcus granulosus	expressed protein	0.0245	0.0966	0.1073
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0009	0.0004
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0035	0.011	0.2084
Schistosoma mansoni	cpg binding protein	0.0037	0.0115	0.0115
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0156	0.0151
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.011	0.0789
Onchocerca volvulus		0.0043	0.0142	1
Brugia malayi	hypothetical protein	0.0245	0.0966	0.0961
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.0501	0.0497
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.11	1
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.1984	0.2204
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0501	0.4573
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.011	0.0789
Schistosoma mansoni	hypothetical protein	0.0041	0.0133	0.0133
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.0501	1
Brugia malayi	hypothetical protein	0.002	0.0045	0.004
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0009	0.001
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0142	0.0138
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0142	0.1039
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0005	0.0005
Schistosoma mansoni	hypothetical protein	0.0019	0.0043	0.0043
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.0501	0.0497
Echinococcus multilocularis	expressed protein	0.001	0.0007	0.0007
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0142	0.0138
Entamoeba histolytica	hypothetical protein	0.0245	0.0966	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.0495	0.049
Schistosoma mansoni	ferritin	0.001	0.0007	0.0007
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0045	0.005
Schistosoma mansoni	z-protein (S1r protein)	0.0245	0.0966	0.0966
Trichomonas vaginalis	conserved hypothetical protein	0.0245	0.0966	0.7337
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0156	0.0173
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.011	0.6643
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.011	0.0789
Mycobacterium ulcerans	lipase LipD	0.0043	0.0142	0.1039
Loa Loa (eye worm)	PXA domain-containing protein	0.0245	0.0966	0.0961
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0142	0.1039
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0045	0.005
Schistosoma mansoni	serine/threonine protein kinase	0.2455	1	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0142	0.0138
Entamoeba histolytica	hypothetical protein	0.0245	0.0966	1
Schistosoma mansoni	ferritin	0.001	0.0007	0.0007
Schistosoma mansoni	hypothetical protein	0.0494	0.1984	0.1984
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0966	0.0961
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0045	0.005
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0501	0.3783
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0035	0.011	0.0789
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0131	0.0501	0.4524
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0009	0.001
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.011	0.6643
Loa Loa (eye worm)	hypothetical protein	0.002	0.0045	0.004
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0156	0.0151

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 20 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182]	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	13.1154 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)	13.1154 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 (binding)	= 15.8489 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)	17.7828 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 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)	19.0115 uM	PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961]	ChEMBL.	No reference
Potency (functional)	26.6795 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1337517

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1197395