TDR Targets

Basic information

Technical information

TDR Targets ID: 163467
Name: 2-hydroxy-4-(3-nitrophenyl)-4-oxobutanoic aci d
MW: 239.182 | Formula: C10H9NO6
H donors: 2 H acceptors: 6 LogP: 0.31 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(CC(=O)c1cccc(c1)[N+](=O)[O-])O
InChi: 1S/C10H9NO6/c12-8(5-9(13)10(14)15)6-2-1-3-7(4-6)11(16)17/h1-4,9,13H,5H2,(H,14,15)
InChiKey: MFKHAHSCNOLEFR-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-hydroxy-4-(3-nitrophenyl)-4-oxo-butanoic acid
2-hydroxy-4-keto-4-(3-nitrophenyl)butyric acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Kynurenine 3-monooxygenase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	potential monooxygenase similar to S. cerevisiae BNA4 (YBL098W) kynurenine 3-monooxygenase, biosynthesis of Nicotinic Acid	Get druggable targets OG5_129812	All targets in OG5_129812
Candida albicans	potential monooxygenase similar to S. cerevisiae BNA4 (YBL098W) kynurenine 3-monooxygenase, biosynthesis of Nicotinic Acid	Get druggable targets OG5_129812	All targets in OG5_129812

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 multilocularis	suppression of tumorigenicity 18 protein	0.0092	0.0497	0.1147
Schistosoma mansoni	nAChR subunit	0.0195	0.1458	0.1458
Schistosoma mansoni	acetyl-CoA carboxylase	0.0162	0.1154	0.1154
Onchocerca volvulus		0.0195	0.1458	0.1026
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0422	0.359	0.8283
Echinococcus multilocularis	glycine receptor subunit beta	0.0422	0.359	0.8283
Schistosoma mansoni	chromobox protein	0.0189	0.141	0.141
Loa Loa (eye worm)	mbt repeat family protein	0.0266	0.2127	0.1728
Schistosoma mansoni	neurotransmitter gated ion channel	0.0195	0.1458	0.1458
Brugia malayi	Carboxyl transferase domain containing protein	0.0157	0.1101	0.0651
Schistosoma mansoni	tyrosinase precursor	0.009	0.0481	0.0481
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0422	0.359	0.8283
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0422	0.359	0.3266
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.011	0.0662	0.1527
Schistosoma mansoni	nAChR subunit	0.0422	0.359	0.359
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0491	0.4243	0.979
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0422	0.359	0.8283
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0491	0.4243	0.979
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0422	0.359	0.3266
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0422	0.359	0.359
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0227	0.1765	0.1348
Schistosoma mansoni	nAChR subunit	0.0422	0.359	0.359
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0422	0.359	0.3266
Echinococcus granulosus	polycomb protein SCMH1	0.0255	0.2029	0.4682
Echinococcus granulosus	lysine specific demethylase 5A	0.0089	0.0472	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0422	0.359	0.8283
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0422	0.359	0.3266
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0162	0.1154	0.2663
Schistosoma mansoni	neurotransmitter gated ion channel	0.0227	0.1765	0.1765
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0491	0.4243	0.979
Schistosoma mansoni	acetylcholine receptor-related	0.0195	0.1458	0.1458
Schistosoma mansoni	sex comb on midleg homolog	0.0255	0.2029	0.2029
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0422	0.359	0.3266
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0062	0.0212	0.0212
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0422	0.359	0.3266
Echinococcus granulosus	glycine receptor subunit beta	0.0422	0.359	0.8283
Brugia malayi	hypothetical protein	0.0195	0.1458	0.1026
Schistosoma mansoni	nAChR subunit	0.0422	0.359	0.359
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Onchocerca volvulus		0.0422	0.359	0.3266
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0195	0.1458	0.1026
Onchocerca volvulus		0.0227	0.1765	0.1348
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Schistosoma mansoni	nAChR subunit	0.0422	0.359	0.359
Brugia malayi	mbt repeat family protein	0.0266	0.2127	0.1728
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1765	0.1348
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0501	0.4334	1
Echinococcus granulosus	tumor suppressor p53 binding protein 1	0.0315	0.2584	0.5962
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1765	0.1348
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0195	0.1458	0.1026
Schistosoma mansoni	sex comb on midleg homolog	0.0255	0.2029	0.2029
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0162	0.1154	1
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.011	0.0662	0.1527
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.037	0.3104	0.3104
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0422	0.359	0.3266
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0422	0.359	0.8283
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0195	0.1458	0.3364
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0195	0.1458	0.1026
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Echinococcus multilocularis	nAChR subunit	0.0422	0.359	0.8283
Brugia malayi	jmjC domain containing protein	0.0132	0.0868	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	ACC-1 protein	0.0422	0.359	0.3266
Trypanosoma cruzi	acetyl-CoA carboxylase	0.01	0.0575	1
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	MBCTL1	0.0092	0.0497	0.0016
Brugia malayi	hypothetical protein	0.0195	0.1458	0.1026
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0422	0.359	0.3266
Toxoplasma gondii	pyruvate carboxylase	0.0062	0.0212	0.1629
Schistosoma mansoni	pyruvate carboxylase	0.0062	0.0212	0.0212
Schistosoma mansoni	nAChR subunit	0.0195	0.1458	0.1458
Echinococcus multilocularis	tumor suppressor p53 binding protein 1	0.0315	0.2584	0.5962
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0062	0.0212	0.5
Echinococcus multilocularis	chromobox protein 2	0.0189	0.141	0.3253
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0422	0.359	0.3266
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0062	0.0212	0.5
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0195	0.1458	0.1026
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0491	0.4243	0.3952
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0422	0.359	0.3266
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0092	0.0497	0.1147
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0422	0.359	0.8283
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0089	0.0472	0.0472
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.1105	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0132	0.0868	0.0406
Onchocerca volvulus		0.029	0.2354	0.1967
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0092	0.0497	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0422	0.359	0.3266
Echinococcus multilocularis	polycomb protein SCMH1	0.0255	0.2029	0.4682
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0491	0.4243	0.979
Entamoeba histolytica	hypothetical protein	0.0227	0.1765	0.5
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0195	0.1458	0.1026
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0422	0.359	0.3266
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0195	0.1458	0.1026
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0422	0.359	0.8283
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0062	0.0212	0.5
Onchocerca volvulus		0.0422	0.359	0.3266
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Leishmania major	acetyl-CoA carboxylase, putative	0.0162	0.1154	1
Schistosoma mansoni	hypothetical protein	0.0315	0.2584	0.2584
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Echinococcus granulosus	nAChR subunit	0.0227	0.1765	0.4071
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Onchocerca volvulus		0.0195	0.1458	0.1026
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0422	0.359	0.359
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0422	0.359	0.3266
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0162	0.1154	0.2663
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0117	0.0734	0.5
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0422	0.359	0.8283
Schistosoma mansoni	neurotransmitter gated ion channel	0.0195	0.1458	0.1458
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1765	0.1348
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0422	0.359	0.3266
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0062	0.0212	0.049
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1765	0.1348
Chlamydia trachomatis	biotin carboxylase	0.0056	0.0159	0.5
Schistosoma mansoni	nAChR subunit	0.0422	0.359	0.359
Echinococcus granulosus	SAM and MBT domain containing protein	0.037	0.3104	0.7161
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1765	0.1348
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0062	0.0212	0.5
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0092	0.0497	0.0497
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0227	0.1765	0.1765
Onchocerca volvulus		0.0422	0.359	0.3266
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0422	0.359	0.3266
Mycobacterium ulcerans	pyruvate carboxylase	0.0062	0.0212	0.5
Echinococcus multilocularis	nAChR subunit	0.0227	0.1765	0.4071
Brugia malayi	hypothetical protein	0.0195	0.1458	0.1026
Echinococcus granulosus	nAChR subunit	0.0422	0.359	0.8283
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0422	0.359	0.3266
Echinococcus multilocularis	lysine specific demethylase 5A	0.0075	0.0332	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1765	0.1348
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0422	0.359	0.3266
Brugia malayi	hypothetical protein	0.0195	0.1458	0.1026
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0195	0.1458	0.3364
Echinococcus granulosus	chromobox protein 2	0.0189	0.141	0.3253
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0227	0.1765	0.1348
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0227	0.1765	0.1348
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.1105	1	1
Loa Loa (eye worm)	ACC-1 protein	0.0422	0.359	0.3266
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0062	0.0212	0.5
Echinococcus multilocularis	glycine receptor subunit beta	0.0422	0.359	0.8283
Onchocerca volvulus	Putative nachr subunit	0.0491	0.4243	0.3952
Echinococcus granulosus	glycine receptor subunit beta	0.0422	0.359	0.8283
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0195	0.1458	0.1458
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0062	0.0212	0.1741
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0439	0.3756	0.344
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Brugia malayi	hypothetical protein	0.0195	0.1458	0.1026
Loa Loa (eye worm)	hypothetical protein	0.1105	1	1
Brugia malayi	Cation transporter family protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Brugia malayi	mbt repeat family protein	0.0439	0.3756	0.344
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0422	0.359	0.8283
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0062	0.0212	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0491	0.4243	0.979
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0195	0.1458	0.1026
Brugia malayi	Cation transporter family protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	acetylcholine receptor protein	0.0195	0.1458	0.1026
Loa Loa (eye worm)	hypothetical protein	0.0491	0.4243	0.3952
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0497	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0501	0.4334	1
Loa Loa (eye worm)	LGC-31 protein	0.0422	0.359	0.3266
Brugia malayi	excitatory GABA receptor EXP-1A	0.0422	0.359	0.3266
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0227	0.1765	0.1348
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0195	0.1458	0.1026
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0422	0.359	0.8283
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0491	0.4243	0.3952
Onchocerca volvulus		0.0227	0.1765	0.1348
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0195	0.1458	0.3364
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0227	0.1765	0.1765
Trypanosoma brucei	acetyl-CoA carboxylase	0.0162	0.1154	1
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0062	0.0212	0.5
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0062	0.0212	0.0212
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0092	0.0497	0.0016
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0422	0.359	0.359
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0117	0.0734	0.5
Echinococcus granulosus	histone acetyltransferase MYST2	0.0092	0.0497	0.1147
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0422	0.359	0.8283
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0062	0.0212	0.1741
Onchocerca volvulus		0.0195	0.1458	0.1026
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Schistosoma mansoni	nAChR subunit	0.0422	0.359	0.359
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0157	0.1101	0.0651
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0491	0.4243	0.979
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0062	0.0212	0.049
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1765	0.1348
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1765	0.1348
Echinococcus multilocularis	SAM and MBT domain containing protein	0.037	0.3104	0.7161
Schistosoma mansoni	hypothetical protein	0.0824	0.7368	0.7368
Schistosoma mansoni	tyrosinase precursor	0.009	0.0481	0.0481
Loa Loa (eye worm)	GABA receptor subunit	0.0227	0.1765	0.1348
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0195	0.1458	0.3364
Loa Loa (eye worm)	hypothetical protein	0.091	0.8175	0.8082
Onchocerca volvulus		0.1105	1	1
Onchocerca volvulus		0.1105	1	1
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0422	0.359	0.8283
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0089	0.0472	0.0472
Onchocerca volvulus		0.1105	1	1
Loa Loa (eye worm)	hypothetical protein	0.0439	0.3756	0.344
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Schistosoma mansoni	nAChR subunit	0.0422	0.359	0.359
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0422	0.359	0.3266
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0422	0.359	0.8283
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0195	0.1458	0.3364
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1458	0.1026
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0422	0.359	0.359
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0422	0.359	0.3266
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0162	0.1154	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0422	0.359	0.8283
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Loa Loa (eye worm)	hypothetical protein	0.1105	1	1
Loa Loa (eye worm)	hypothetical protein	0.0422	0.359	0.3266
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0422	0.359	0.8283

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.95 uM	Inhibition of rat brain KYN 3-OHase.	ChEMBL.	9873646
IC50 (binding)	= 1.95 uM	Inhibition of rat brain KYN 3-OHase.	ChEMBL.	9873646
IC50 (binding)	= 11.5 uM	Inhibition of rat liver KYN 3-OHase.	ChEMBL.	9873646
IC50 (binding)	= 11.5 uM	Inhibition of rat liver KYN 3-OHase.	ChEMBL.	9873646

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: CHEMBL98736
PubChem: 12810647

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 163467