TDR Targets

Basic information

Technical information

TDR Targets ID: 253038
Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]- [1,3]oxazolo[4,5-b]pyridin-2-one
MW: 344.795 | Formula: C17H17ClN4O2
H donors: 0 H acceptors: 2 LogP: 2.94 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)N1CCN(CC1)Cn1c(=O)oc2c1nccc2
InChi: 1S/C17H17ClN4O2/c18-13-3-5-14(6-4-13)21-10-8-20(9-11-21)12-22-16-15(24-17(22)23)2-1-7-19-16/h1-7H,8-12H2
InChiKey: HFFBMBLMXAWQLB-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]oxazolo[4,5-b]pyridin-2-one
3-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-2-oxazolo[4,5-b]pyridinone
3-[[4-(4-chlorophenyl)piperazino]methyl]oxazolo[4,5-b]pyridin-2-one
146529-58-0
3-((4-(4-Chlorophenyl)-1-piperazinyl)methyl)oxazolo(4,5-b)pyridin-2(3H)-one
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(4-chlorophenyl)-1-piperazinyl)methyl)-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Onchocerca volvulus		0.0041	0.0162	0.044
Brugia malayi	Cation transporter family protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Leishmania major	DNA polymerase eta, putative	0.0051	0.0294	0.4795
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0057	0.0368	0.1338
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0076	0.0614	1
Brugia malayi	hypothetical protein	0.0174	0.1894	0.6883
Echinococcus granulosus	nAChR subunit	0.0057	0.0368	0.0345
Echinococcus granulosus	dna polymerase eta	0.0051	0.0294	0.0272
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.0534	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0057	0.0368	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0085
Onchocerca volvulus		0.0057	0.0368	0.1091
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.007	0.0047
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0057	0.0368	0.1338
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0057	0.0368	0.1338
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0162	0.2646
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0057	0.0368	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0268	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0162	0.059
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0162	0.059
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0076	0.0614	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0076	0.0614	0.2231
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Leishmania major	hypothetical protein, conserved	0.0041	0.0162	0.2646
Onchocerca volvulus		0.0041	0.0162	0.044
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.007	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Echinococcus multilocularis	glycine receptor subunit beta	0.0057	0.0368	0.0345
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0264	0.3081	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0057	0.0368	0.1338
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0053	0.003
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0162	0.0139
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0031	0.0023	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.0534	1
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0057	0.0368	0.0345
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0057	0.0368	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1868	0.6789
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0076	0.0614	1
Onchocerca volvulus		0.0272	0.3184	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0085
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.007	0.1308
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0057	0.0368	0.0345
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0057	0.0368	0.1338
Trypanosoma cruzi	DNA polymerase eta, putative	0.0036	0.0094	0.1533
Brugia malayi	excitatory GABA receptor EXP-1A	0.0057	0.0368	0.1338
Onchocerca volvulus		0.0041	0.0162	0.044
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0162	0.059
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.012	0.1192	0.4333
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0057	0.0368	0.0345
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0061	0.0418	0.152
Echinococcus granulosus	muscleblind protein	0.0172	0.1868	0.1849
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0057	0.0368	0.0345
Schistosoma mansoni	nAChR subunit	0.0057	0.0368	0.0345
Schistosoma mansoni	nAChR subunit	0.0057	0.0368	0.0345
Onchocerca volvulus		0.0057	0.0368	0.1091
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0057	0.0368	0.0345
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0057	0.0368	0.1338
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0057	0.0368	0.1338
Brugia malayi	beta-lactamase	0.0041	0.0162	0.059
Schistosoma mansoni	hypothetical protein	0.0034	0.0064	0.004
Onchocerca volvulus		0.0034	0.007	0.0147
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0162	0.2646
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0057	0.0368	0.0345
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0162	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Echinococcus multilocularis	glycine receptor subunit beta	0.0057	0.0368	0.0345
Onchocerca volvulus		0.0057	0.0368	0.1091
Echinococcus multilocularis	muscleblind protein	0.0172	0.1868	0.1849
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0076	0.0614	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0057	0.0368	0.1338
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0057	0.0368	0.1338
Echinococcus multilocularis	microtubule associated protein 2	0.0793	1	1
Onchocerca volvulus	Putative nachr subunit	0.0057	0.0368	0.1091
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0057	0.0368	0.0345
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.012	0.1192	0.1171
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0534	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0057	0.0368	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0057	0.0368	0.0345
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.007	0.0047
Schistosoma mansoni	nAChR subunit	0.0057	0.0368	0.0345
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0064	0.0231
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0064	0.0231
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0239	0.2751	1
Onchocerca volvulus		0.0057	0.0368	0.1091
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.0534	0.0512
Onchocerca volvulus		0.0057	0.0368	0.1091
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0162	0.5
Onchocerca volvulus		0.0057	0.0368	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0162	0.059
Trypanosoma cruzi	DNA polymerase eta, putative	0.0051	0.0294	0.4795
Toxoplasma gondii	ABC1 family protein	0.0041	0.0162	0.304
Brugia malayi	Muscleblind-like protein	0.0172	0.1868	0.6789
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0057	0.0368	0.1338
Loa Loa (eye worm)	ACC-1 protein	0.0057	0.0368	0.1338
Brugia malayi	Pre-SET motif family protein	0.0034	0.007	0.0254
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.0534	0.1274
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0162	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0076	0.0614	0.0592
Echinococcus multilocularis	dna polymerase eta	0.0051	0.0294	0.0272
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0268	0.0976
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0057	0.0368	0.1338
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0057	0.0368	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1868	0.6789
Loa Loa (eye worm)	hypothetical protein	0.0174	0.1894	0.6883
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0057	0.0368	0.0345
Echinococcus multilocularis	nAChR subunit	0.0057	0.0368	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0162	0.059
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0085
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.007	0.0047
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0162	0.059
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0057	0.0368	0.1338
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0057	0.0368	0.1338
Leishmania major	DNA polymerase eta, putative	0.0036	0.0094	0.1533
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0085
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0534	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0051	0.0294	0.107
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0162	0.059
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0294	0.107
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.012	0.1192	0.1171
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.0534	0.8703
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0057	0.0368	0.0345
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0057	0.0368	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0085
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0162	0.059
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0162	0.2646
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0057	0.0368	0.0345
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0162	0.0139
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0057	0.0368	0.1338
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0031	0.0023	0.0085
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0162	0.0139
Echinococcus multilocularis	muscleblind protein 1	0.0172	0.1868	0.1849
Echinococcus multilocularis	transcription factor Dp 1	0.0044	0.0196	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0534	0.0512
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0076	0.0614	0.2231
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0057	0.0368	0.0345
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0076	0.0614	0.0592
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0057	0.0368	0.0345
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0031	0.0023	0.0085
Loa Loa (eye worm)	ACC-1 protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0268	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0162	0.059
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.012	0.1192	0.4333
Echinococcus granulosus	glycine receptor subunit beta	0.0057	0.0368	0.0345
Trypanosoma brucei	DNA polymerase eta, putative	0.0051	0.0294	0.4795
Schistosoma mansoni	nAChR subunit	0.0057	0.0368	0.0345
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.007	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0085
Loa Loa (eye worm)	LGC-31 protein	0.0057	0.0368	0.1338
Schistosoma mansoni	nAChR subunit	0.0057	0.0368	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Loa Loa (eye worm)	hypothetical protein	0.012	0.1192	0.4333
Loa Loa (eye worm)	GABA receptor subunit	0.0031	0.0023	0.0085
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0057	0.0368	0.0345
Schistosoma mansoni	nAChR subunit	0.0057	0.0368	0.0345
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.012	0.1192	0.1171
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.007	0.0047
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0057	0.0368	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0085
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0031	0.0023	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0034	0.007	0.0254
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0057	0.0368	0.0345
Brugia malayi	beta-lactamase family protein	0.0041	0.0162	0.059
Loa Loa (eye worm)	hypothetical protein	0.012	0.1192	0.4333
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0057	0.0368	0.1338
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0227	0.2596	0.2578
Echinococcus granulosus	transcription factor Dp 1	0.0044	0.0196	0.0173
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0534	0.0512
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0162	0.0139
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0057	0.0368	0.0345
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0076	0.0614	0.0592
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0534	1
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0057	0.0368	0.1338
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0057	0.0368	0.1338
Brugia malayi	beta-lactamase family protein	0.0041	0.0162	0.059
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0793	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0057	0.0368	0.0345
Schistosoma mansoni	nAChR subunit	0.0057	0.0368	0.0345
Brugia malayi	Cation transporter family protein	0.0057	0.0368	0.1338
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0036	0.0094	0.1762
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.007	0.0047
Onchocerca volvulus		0.0174	0.1894	0.5918
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0057	0.0368	0.1338
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0057	0.0368	0.0345
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0059	0.0395	0.1435
Brugia malayi	Pre-SET motif family protein	0.0239	0.2751	1
Trichomonas vaginalis	set domain proteins, putative	0.0272	0.3184	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0085
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0076	0.0614	1
Brugia malayi	Cation transporter family protein	0.0057	0.0368	0.1338
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0057	0.0368	0.0345
Schistosoma mansoni	peptidylglycine monooxygenase	0.012	0.1192	0.1171
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0057	0.0368	0.0345
Schistosoma mansoni	DNA polymerase eta	0.0051	0.0294	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0368	0.1338
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0057	0.0368	0.1338
Echinococcus granulosus	glycine receptor subunit beta	0.0057	0.0368	0.0345
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0268	0.0976
Plasmodium vivax	SET domain protein, putative	0.0034	0.007	0.4302

Activities

Activity type	Activity value	Assay description	Source	Reference
Behavior (functional)	0	General behavior in mice after oral administratin of the compound (500 mg/kg) using acute toxicity assay; Convulsions	ChEMBL.	8386248
ED50 (functional)	= 10.6 mg kg-1	Analgesic activity in mice using p-phenylquinone test.	ChEMBL.	8386248
ED50 (functional)	= 10.6 mg kg-1	Analgesic activity in mice using p-phenylquinone test.	ChEMBL.	8386248
Inhibition (functional)	= 23 %	Anti-inflammatory effect expressed as % inhibition at 50 mg/kg in acute carrageenan paw edema test in rats	ChEMBL.	8386248
Mortality (ADMET)	= 90 %	Percent mortality in mice after oral administratin of the compound (500 mg/kg) using acute toxicity assay	ChEMBL.	8386248
Mortality (ADMET)	= 90 %	Percent mortality in mice after oral administratin of the compound (500 mg/kg) using acute toxicity assay	ChEMBL.	8386248

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.

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: CHEMBL356772
PubChem: 3073121

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 253038