TDR Targets

Basic information

Technical information

TDR Targets ID: 848508
Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2 -yl]sulfanyl-N-(4-fluorophenyl)acetamide
MW: 455.893 | Formula: C21H15ClFN5O2S
H donors: 1 H acceptors: 4 LogP: 3.47 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)F)CSc1nc2nccnc2c(=O)n1Cc1ccccc1Cl
InChi: 1S/C21H15ClFN5O2S/c22-16-4-2-1-3-13(16)11-28-20(30)18-19(25-10-9-24-18)27-21(28)31-12-17(29)26-15-7-5-14(23)6-8-15/h1-10H,11-12H2,(H,26,29)
InChiKey: VWFRTLGKTSKBEZ-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-[3-[(2-chlorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-(4-fluorophenyl)acetamide
2-[[3-(2-chlorobenzyl)-4-keto-pteridin-2-yl]thio]-N-(4-fluorophenyl)acetamide
2-[3-[(2-chlorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide

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
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0031	0.0641	0.054
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0069	0.0069
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0017	0.0302	0.0198
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0031	0.0641	0.054
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0031	0.0641	0.0576
Schistosoma mansoni	hypothetical protein	0.0015	0.0266	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Schistosoma mansoni	nAChR subunit	0.0031	0.0641	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Onchocerca volvulus		0.0031	0.0641	0.0406
Onchocerca volvulus		0.0017	0.0302	0.0058
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0109	0.004
Entamoeba histolytica	glycogen phosphorylase, putative	0.0185	0.427	0.4092
Echinococcus granulosus	nAChR subunit	0.0017	0.0302	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0683	0.058
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0031	0.0641	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2308	0.2224
Onchocerca volvulus		0.0102	0.2308	0.2115
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Schistosoma mansoni	glycogen phosphorylase	0.0428	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0031	0.0641	0.0576
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0031	0.0641	0.0576
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0031	0.0641	0.054
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0031	0.0641	0.054
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0017	0.0302	0.0198
Onchocerca volvulus		0.0031	0.0641	0.0406
Brugia malayi	Cation transporter family protein	0.0031	0.0641	0.054
Onchocerca volvulus		0.0031	0.0641	0.0406
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0014	0.0245	0.0245
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0031	0.0641	0.0576
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0014	0.0245	0.0177
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0014	0.0245	0.0177
Echinococcus granulosus	Glycosyl transferase family 35	0.0428	1	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0266	0.0266
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0014	0.0245	0.014
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0031	0.0641	0.054
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0428	1	1
Onchocerca volvulus		0.0017	0.0302	0.0058
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0683	0.0583
Schistosoma mansoni	neurotransmitter gated ion channel	0.0017	0.0302	0.0302
Onchocerca volvulus		0.0102	0.2308	0.2115
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0031	0.0641	0.0641
Schistosoma mansoni	hypothetical protein	0.0015	0.0266	0.0266
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1042	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Schistosoma mansoni	neurotransmitter gated ion channel	0.0014	0.0245	0.0245
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0031	0.0641	0.0538
Schistosoma mansoni	hypothetical protein	0.0015	0.0266	0.0266
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0017	0.0302	0.0302
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.1294	0.1294
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Schistosoma mansoni	nAChR subunit	0.0031	0.0641	0.0641
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0031	0.0641	0.0538
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0266	0.0198
Loa Loa (eye worm)	ACC-1 protein	0.0031	0.0641	0.0538
Schistosoma mansoni	acetylcholine receptor-related	0.0014	0.0245	0.0245
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0031	0.0641	0.0576
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0031	0.0641	0.054
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0031	0.0641	0.0576
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0031	0.0641	0.0538
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0031	0.0641	0.0641
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0031	0.0641	0.0576
Brugia malayi	excitatory GABA receptor EXP-1A	0.0031	0.0641	0.054
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0302	0.0195
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0266	0.0159
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0031	0.0641	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0014	0.0245	0.014
Echinococcus multilocularis	glycogen phosphorylase	0.0428	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Schistosoma mansoni	cpg binding protein	0.0028	0.0561	0.0561
Schistosoma mansoni	nAChR subunit	0.0031	0.0641	0.0641
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0031	0.0641	0.0576
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0014	0.0245	0.0177
Schistosoma mansoni	hypothetical protein	0.0033	0.0683	0.0683
Brugia malayi	hypothetical protein	0.0014	0.0245	0.014
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0031	0.0641	0.0576
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0031	0.0641	0.0576
Echinococcus granulosus	cpg binding protein	0.0029	0.0598	0.0533
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0266	0.0159
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0031	0.0641	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Schistosoma mansoni	nAChR subunit	0.0014	0.0245	0.0245
Giardia lamblia	Glycogen phosphorylase	0.0428	1	0.5
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0031	0.0641	0.054
Echinococcus granulosus	glycogen phosphorylase	0.0428	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0031	0.0641	0.0576
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0031	0.0641	0.054
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0266	0.0198
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0266	0.0161
Echinococcus multilocularis	nAChR subunit	0.0031	0.0641	0.0576
Echinococcus multilocularis	glycine receptor subunit beta	0.0031	0.0641	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0561	0.0459
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0014	0.0245	0.014
Loa Loa (eye worm)	LGC-31 protein	0.0031	0.0641	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0087	0.197	0.1881
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0031	0.0641	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0302	0.0195
Onchocerca volvulus		0.0028	0.0561	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0031	0.0641	0.0576
Echinococcus granulosus	glycine receptor subunit beta	0.0031	0.0641	0.0576
Echinococcus granulosus	glycogen phosphorylase	0.0428	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0428	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0031	0.0641	0.0576
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0031	0.0641	0.0641
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0031	0.0641	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1042	0.0944
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0014	0.0245	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Schistosoma mansoni	nAChR subunit	0.0031	0.0641	0.0641
Brugia malayi	Cation transporter family protein	0.0031	0.0641	0.054
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0031	0.0641	0.0576
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.1146	0.5
Schistosoma mansoni	nAChR subunit	0.0014	0.0245	0.0245
Loa Loa (eye worm)	acetylcholine receptor protein	0.0014	0.0245	0.0138
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0185	0.427	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0266	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0302	0.0195
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0014	0.0245	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Echinococcus granulosus	nAChR subunit	0.0031	0.0641	0.0576
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1042	0.0946
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0031	0.0641	0.0538
Brugia malayi	hypothetical protein	0.0014	0.0245	0.014
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0031	0.0641	0.0576
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0031	0.0641	0.054
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0302	0.0195
Entamoeba histolytica	glycogen phosphorylase, putative	0.0428	1	1
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0014	0.0245	0.0177
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0102	0.2308	0.2308
Schistosoma mansoni	glycogen phosphorylase	0.0428	1	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0561	0.0457
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0031	0.0641	0.054
Brugia malayi	hypothetical protein	0.0014	0.0245	0.014
Onchocerca volvulus	Putative nachr subunit	0.0031	0.0641	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0302	0.0195
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0017	0.0302	0.0198
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0031	0.0641	0.0538
Echinococcus multilocularis	nAChR subunit	0.0017	0.0302	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0266	0.0198
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0017	0.0302	0.0198
Loa Loa (eye worm)	glycogen phosphorylase	0.0428	1	1
Chlamydia trachomatis	glycogen phosphorylase	0.0428	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0302	0.0195
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0031	0.0641	0.054
Entamoeba histolytica	glycogen phosphorylase, putative	0.0428	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0031	0.0641	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0031	0.0641	0.054
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0031	0.0641	0.0576
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0031	0.0641	0.054
Schistosoma mansoni	cpg binding protein	0.0029	0.0598	0.0598
Brugia malayi	Cation transporter family protein	0.0102	0.2308	0.2226
Echinococcus multilocularis	glycogen phosphorylase	0.0428	1	1
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0428	1	1
Brugia malayi	hypothetical protein	0.0014	0.0245	0.014
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0185	0.427	0.5
Loa Loa (eye worm)	GABA receptor subunit	0.0017	0.0302	0.0195
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0017	0.0302	0.0302
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0428	1	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0598	0.0598
Schistosoma mansoni	nAChR subunit	0.0031	0.0641	0.0641
Brugia malayi	hypothetical protein	0.0014	0.0245	0.014
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Schistosoma mansoni	glycogen phosphorylase	0.0185	0.427	0.427
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0245	0.0138
Echinococcus multilocularis	glycine receptor subunit beta	0.0031	0.0641	0.0576
Loa Loa (eye worm)	ACC-1 protein	0.0031	0.0641	0.0538
Schistosoma mansoni	nAChR subunit	0.0031	0.0641	0.0641
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0014	0.0245	0.014
Echinococcus granulosus	GPCR family 2	0.0015	0.0266	0.0198
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0031	0.0641	0.054
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0302	0.0195
Entamoeba histolytica	glycogen phosphorylase, putative	0.0185	0.427	0.4092
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0302	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2308	0.2224
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0014	0.0245	0.014
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0641	0.0538
Schistosoma mansoni	nAChR subunit	0.0031	0.0641	0.0641
Schistosoma mansoni	neurotransmitter gated ion channel	0.0014	0.0245	0.0245
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0031	0.0641	0.054
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0014	0.0245	0.0138
Onchocerca volvulus		0.0102	0.2308	0.2115
Echinococcus granulosus	glycine receptor subunit beta	0.0031	0.0641	0.0576
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1042	0.0944
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0031	0.0641	0.0641
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0031	0.0641	0.054
Entamoeba histolytica	glycogenphosphorylase, putative	0.0185	0.427	0.4092
Echinococcus multilocularis	cpg binding protein	0.0029	0.0598	0.0533
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0014	0.0245	0.014
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0266	0.0198
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0266	0.0161
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0109	0.004
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0102	0.2308	0.2308

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 848508