TDR Targets

Basic information

Technical information

TDR Targets ID: 59219
Name: (Dimethylamino)phenazone
MW: 231.294 | Formula: C13H17N3O
H donors: 0 H acceptors: 1 LogP: 2.32 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1c(C)n(n(c1=O)c1ccccc1)C)C
InChi: 1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
InChiKey: RMMXTBMQSGEXHJ-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

1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone
1-Phenyl-2,3-dimethyl-4-(dimethylamino)-5-pyrazolone
1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one
1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazolone-5
144574-10-7
2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone
3-keto-1,5-Dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazole
3-Pyrazolin-5-one, 4-(dimethylamino)-2,3-dimethyl-1-phenyl-
3H-Pyrazol-3-one, 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one
4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone
4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one
4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
4-(Dimethylamino)antipyrine
4-Dimethylaminoantipyrine
4-dimethylamino-1,5-dimethyl-2-phenylpyrazol-3-one
4-dimethylamino-1,5-dimethyl-2-phenyl-pyrazol-3-one
4-dimethylamino-1,5-dimethyl-2-phenyl-3-pyrazolone
4-Dimethylamino-2,3-dimethyl-1-phenyl-5-pyrazolone
4-Dimethylaminophenazone
4-Dimethylamino-1-phenyl-2,3-dimethylpyrazolone
4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
58-15-1
Amidazofen
Amidazophen
Amidazophene
Amidazophenum
Amidofebrin
Amidofen
Amidophen
Amidophenazone
Amidopyrazoline
Amidopyrin
Amidopyrine
Amidopyrinum
Aminofenazona [INN-Spanish]
Aminofenazone [Italian]
Aminophenazone
Aminophenazon
Aminophenazone (INN)
Aminophenazon [German]
Aminophenazonum [INN-Latin]
Aminopyrene
Aminopyrine
Aminopyrin
Aminopyrine (JAN)
Aminopyrine [JAN]
Aminopyrinum
Anafebrina
Antipyrine
Antipyrine, 4-(dimethylamino)-
BPBio1_000018
Brufaneuxol
BSPBio_000016
C07539
CAS-58-15-1
CCRIS 2907
D00556
D8015_SIGMA
Dereuma
Dimapyrin
Dimethylamino-analgesine
Dimethylaminoantipyrine
Dimethylaminoazophene
Dimethylaminophenazone
Dimethylaminophenyldimethylpyrazolone
Dimethylaminophenazon [German]
Dimethylaminophenyldimethylpyrazolin
Dipirin
Dipyrin
Dipyrine
EINECS 200-365-8
Eufibron
Febrinina
Febron
HSDB 2135
Hyparon
Itamidone
Mamallet-A
NCGC00016257-01
NCGC00090878-01
NCGC00090878-02
NCGC00090878-03
Netsusarin
Novamidon
NSC 4993
NSC4993
Oprea1_080671
Piramidon
Pirazon
Piridol
Piromidina
Polinalin
Prestwick0_000088
Prestwick1_000088
Prestwick2_000088
Prestwick3_000088
Prestwick_14
Pyradone
Pyramidon
Pyramidone
SPBio_001955
ST011911
TimTec1_000737
WLN: T5NNVJ A1 BR& DN1&1 E1
ZINC00057115

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	peroxisome proliferator-activated receptor delta	Starlite/ChEMBL	No references
Homo sapiens	arachidonate 15-lipoxygenase	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
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 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Echinococcus granulosus	arachidonate 5 lipoxygenase	arachidonate 15-lipoxygenase	662 aa	590 aa	23.9 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Brugia malayi	ecdysteroid receptor	peroxisome proliferator-activated receptor delta	441 aa	369 aa	24.7 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	lamin dm0	0.0033	0.0229	0.0229
Entamoeba histolytica	dual specificity protein phosphatase, putative	0.0646	0.8333	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0772	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0234	0.0234
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0772	1	1
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0029	0.0185	0.0185
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0029	0.0185	0.0185
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0209	0.2552	0.2906
Onchocerca volvulus		0.0033	0.0229	0.0474
Schistosoma mansoni	protein tyrosine phosphatase	0.0029	0.0185	0.0185
Schistosoma mansoni	hypothetical protein	0.0024	0.0113	0.0113
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0113	0.0113
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0067	0.0679	0.0679
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0006	0.0006
Onchocerca volvulus		0.0029	0.0185	0.0294
Onchocerca volvulus		0.0029	0.0185	0.0294
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0029	0.0185	0.0185
Echinococcus multilocularis	geminin	0.0205	0.2501	0.2501
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0029	0.0185	0.0294
Echinococcus granulosus	geminin	0.0205	0.2501	0.2501
Onchocerca volvulus		0.0029	0.0185	0.0294
Schistosoma mansoni	lipoxygenase	0.0024	0.0113	0.0113
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0029	0.0185	0.0185
Schistosoma mansoni	hypothetical protein	0.0205	0.2501	0.2501
Onchocerca volvulus		0.0029	0.0185	0.0294
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0029	0.0185	0.0185
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0029	0.0029
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0029	0.0185	0.0185
Echinococcus multilocularis	musashi	0.0033	0.0229	0.0229
Onchocerca volvulus		0.0029	0.0185	0.0294
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0209	0.2552	0.2906
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0064	0.0648	0.0568
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0029	0.0185	0.0185
Echinococcus multilocularis	muscleblind protein	0.0144	0.1705	0.1705
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0435	0.0435
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0029	0.0185	0.0185
Brugia malayi	follicle stimulating hormone receptor	0.028	0.3493	0.3493
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0029	0.0185	0.0185
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0029	0.0185	0.0294
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0029	0.0185	0.0185
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0209	0.2552	1
Schistosoma mansoni	loxhd1	0.0024	0.0113	0.0113
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0029	0.0185	0.0185
Schistosoma mansoni	rab6-interacting	0.0024	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0029	0.0185	0.0185
Schistosoma mansoni	polycystin 1-related	0.0024	0.0113	0.0113
Plasmodium vivax	multidomain scavenger receptor, putative	0.0024	0.0113	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0029	0.0185	0.0294
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0029	0.0185	0.0185
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0209	0.2552	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0229	0.0229
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Brugia malayi	hypothetical protein	0.0029	0.0185	0.0185
Brugia malayi	hypothetical protein	0.0024	0.0113	0.0113
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Brugia malayi	Muscleblind-like protein	0.0144	0.1705	0.1705
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0064	0.0648	0.0568
Echinococcus granulosus	Polycystic kidney disease protein	0.0024	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1705	0.1705
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Schistosoma mansoni	rab6-interacting	0.0024	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0029	0.0185	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0435	0.0435
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0029	0.0185	0.0185
Echinococcus multilocularis	muscleblind protein 1	0.0144	0.1705	0.1705
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Schistosoma mansoni	lamin	0.0033	0.0229	0.0229
Onchocerca volvulus		0.0029	0.0185	0.0294
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Brugia malayi	intermediate filament protein	0.0033	0.0229	0.0229
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0209	0.2552	0.2906
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0209	0.2552	0.2552
Leishmania major	hypothetical protein, conserved	0.0064	0.0648	1
Onchocerca volvulus		0.0029	0.0185	0.0294
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0209	0.2552	0.2906
Brugia malayi	hypothetical protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0029	0.0185	0.0185
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0029	0.0185	0.0185
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0029	0.0185	0.0185
Echinococcus multilocularis	hypothetical protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Echinococcus multilocularis	Polycystic kidney disease protein	0.0024	0.0113	0.0113
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0064	0.0648	1
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0029	0.0185	0.0185
Schistosoma mansoni	protein tyrosine phosphatase	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0033	0.0229	0.0474
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Schistosoma mansoni	hypothetical protein	0.0205	0.2501	0.2501
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0772	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.0648	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Brugia malayi	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus multilocularis		0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus granulosus	intermediate filament protein	0.0033	0.0229	0.0229
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0209	0.2552	0.2906
Schistosoma mansoni	lipoxygenase	0.0067	0.0679	0.0679
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Brugia malayi	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0113	0.0113
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0209	0.2552	0.2552
Brugia malayi	Protein-tyrosine phosphatase 1	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0006	0.0006
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0029	0.0185	0.0185
Echinococcus granulosus	lamin	0.0033	0.0229	0.0229
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0029	0.0185	0.0185
Brugia malayi	Doublecortin family protein	0.0024	0.0113	0.0113
Onchocerca volvulus		0.0029	0.0185	0.0294
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0435	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.028	0.3493	0.3493
Plasmodium falciparum	LCCL domain-containing protein	0.0024	0.0113	0.5
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0113	0.0113
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0113	0.0113
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0229	0.0229
Onchocerca volvulus	4.1 G protein, putative homolog	0.0029	0.0185	0.0294
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0209	0.2552	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0029	0.0185	0.0185
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0234	0.0234
Schistosoma mansoni	lamin	0.0033	0.0229	0.0229
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0029	0.0185	0.0294
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0209	0.2552	0.2906
Onchocerca volvulus		0.0029	0.0185	0.0294
Brugia malayi	hypothetical protein	0.0024	0.0113	0.0113
Schistosoma mansoni	pcd6 interacting protein-related	0.0029	0.0185	0.0185
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0029	0.0185	0.0294
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Brugia malayi	hypothetical protein	0.0029	0.0185	0.0185
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0029	0.0185	0.0185
Echinococcus multilocularis	RUN	0.0024	0.0113	0.0113
Echinococcus multilocularis	lamin	0.0033	0.0229	0.0229
Onchocerca volvulus		0.0029	0.0185	0.0294
Onchocerca volvulus		0.0029	0.0185	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0029	0.0185	0.0294
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.0646	0.8333	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0029	0.0185	0.0185
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0029	0.0185	0.0185
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1705	0.1705
Onchocerca volvulus		0.0029	0.0185	0.0294
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0113	0.0113
Schistosoma mansoni	protein tyrosine phosphatase	0.0029	0.0185	0.0185
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0029	0.0185	0.0185
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0229	0.0229
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0029	0.0185	0.0185
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0209	0.2552	0.2906
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0772	1	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0067	0.0679	0.0679
Loa Loa (eye worm)	doublecortin family protein	0.0024	0.0113	0.0113
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.0648	1
Echinococcus granulosus	RUN	0.0024	0.0113	0.0113
Schistosoma mansoni	hypothetical protein	0.0033	0.0234	0.0234
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0209	0.2552	0.2906
Echinococcus granulosus	muscleblind protein	0.0144	0.1705	0.1705
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0435	0.0435
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0029	0.0185	0.0185
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0221	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0229	0.0229
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Onchocerca volvulus		0.0029	0.0185	0.0294
Onchocerca volvulus		0.0029	0.0185	0.0294
Echinococcus multilocularis	lamin dm0	0.0033	0.0229	0.0229
Brugia malayi	Protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0029	0.0185	0.0185
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0029	0.0185	0.0185
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0144	0.1704	0.5
Onchocerca volvulus		0.0029	0.0185	0.0294
Onchocerca volvulus		0.0029	0.0185	0.0294
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0029	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.0185
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0029	0.0185	0.0185
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0029	0.0185	0.0185

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 10 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Activity (functional)	= -11.5	Beta-blocking activity measured by applying the stepwise linear discriminate analysis; Inactive	ChEMBL.	No reference
Activity (functional)	= -11.5	Beta-blocking activity measured by applying the stepwise linear discriminate analysis; Inactive	ChEMBL.	No reference
ED50 (functional)	= 19.2 mg kg-1	Compound was tested for antianalgesic activity by phenylquinone writhing method in mice.	ChEMBL.	6708056
ED50 (functional)	= 19.2 mg kg-1	Compound was tested for antianalgesic activity by phenylquinone writhing method in mice.	ChEMBL.	6708056
ED50 (functional)	= 46 mg kg-1	Analgesic activity in sc dosed ddY mouse assessed as inhibition of acetic acid-induced abdominal stretching pretreated for 30 mins followed by acetic acid challenge measured for 5 to 20 mins	ChEMBL.	311385
ED50 (functional)	= 233 mg kg-1	Analgesic activity in sc dosed ddN mouse assessed as inhibition of light radiation-induced thermal pain by D'Amour-Smith method	ChEMBL.	106119
ED50 (functional)	= 250 mg kg-1	Analgesic activity in po dosed OF1 mouse assessed as dose required to double paw licking reaction time after 30 mins by hot plate test	ChEMBL.	458805
F (ADMET)	= 100 %	Oral bioavailability in human	ChEMBL.	22096083
Inhibition (ADMET)		Inhibition of human CYP1A2 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using ethoxyresorufin as substrate after 30 mins	ChEMBL.	22931300
Inhibition (ADMET)		Inhibition of human CYP2C9 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 30 mins	ChEMBL.	22931300
Inhibition (ADMET)		Inhibition of human CYP2C19 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 3-butyryl-7-methoxycoumarin as substrate after 30 mins	ChEMBL.	22931300
Inhibition (ADMET)		Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins	ChEMBL.	22931300
Inhibition (ADMET)		Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using diethoxyfluorescein as substrate after 30 mins	ChEMBL.	22931300
Inhibition (ADMET)		Inhibition of human CYP2D6 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 4-methylaminoethyl-7-methoxycoumarin as substrate after 30 mins	ChEMBL.	22931300
Inhibition (ADMET)	< 10 %	Time dependent inhibition of CYP3A4 (unknown origin) at 100 uM by LC/MS system	ChEMBL.	21467212
Inhibition (ADMET)	< 10 %	Time dependent inhibition of CYP1A2 (unknown origin) at 100 uM by LC/MS system	ChEMBL.	21467212
Inhibition (ADMET)	< 10 %	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	ChEMBL.	21467212
Inhibition (ADMET)	< 10 %	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	ChEMBL.	21467212
Inhibition (ADMET)	< 10 %	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	ChEMBL.	21467212
Inhibition (ADMET)	< 10 %	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	ChEMBL.	21467212
Inhibition (ADMET)	< 10 %	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	ChEMBL.	21467212
Inhibition (functional)	= 17.5 %	Compound was tested for antiinflammatory activity and the % inhibition was reported 3 h after carrageenin injection in the hind paw edema test in rats: dose=80 mg/kg	ChEMBL.	6708056
Inhibition (functional)	= 21 %	Neuronal protective effect of compound against ishemic brain damage in rat t-MCAO model	ChEMBL.	11229779
Inhibition (functional)	= 23.8 %	TP_TRANSPORTER: inhibition of PAH uptake (PAH: 2 uM, Amimopyrine: 1000 uM) in Xenopus laevis oocytes	ChEMBL.	10220563
LD50 (ADMET)	= 523 mg kg-1	Acute lethal toxicity after oral administration was determined	ChEMBL.	6708056
LD50 (ADMET)	= 523 mg kg-1	Acute lethal toxicity after oral administration was determined	ChEMBL.	6708056
log Kp (ADMET)	= -6.62	Permeability coefficient in human skin	ChEMBL.	17827020
log P	> 19	Lipid solubility of the compound measured as chloroform-water partition coefficient	ChEMBL.	3965711
Log PNalk	= -0.68	Lipophilicity determined as logarithm of the partition coefficient in the alkane/water system	ChEMBL.	15857133
LogP (ADMET)	= -462	Permeability coefficient through artificial membrane in presence of unstirred water layer by PAMPA	ChEMBL.	17418579
logP (ADMET)	= -1.1	Partition coefficient (logP) (dodecane)	ChEMBL.	11754587
logP (ADMET)	= 0.82	Partition coefficient (logP)	ChEMBL.	11754587
LogP	= 1	Partition coefficient, log P of the compound	ChEMBL.	17418579
LogP app (ADMET)	= -4.76	Permeability coefficient through artificial membrane in presence of unstirred water layer by PAMPA	ChEMBL.	17418579
LogP app (ADMET)	= -4.41	Permeability coefficient through artificial membrane in presence of stirred water layer at 100 rpm stirring speed	ChEMBL.	17418579
LogP app (ADMET)	= -4.3	Permeability coefficient through artificial membrane in presence of stirred water layer at 200 rpm stirring speed	ChEMBL.	17418579
LogP app (ADMET)	= -4.14	Permeability coefficient through artificial membrane in presence of stirred water layer	ChEMBL.	17418579
LogP app (ADMET)	= -4.14	Permeability coefficient through artificial membrane in presence of stirred water layer at 250 rpm stirring speed	ChEMBL.	17418579
logPm (ADMET)	= -4.23	Intrinsic artificial membrane permeability coefficient, log P0 of the compound	ChEMBL.	17418579
Papp (ADMET)	= 72.31 10^-6 cm/s	Permeability coefficient through artificial membrane in presence of stirred water layer	ChEMBL.	17418579
PB (ADMET)	= 30.9 pmol	Covalent binding in human liver microsomes measured per mg of protein using radiolabelled compound at 10 uM after 1 hr incubation by liquid scintillation counting	ChEMBL.	21467212
pKa	= 4.48	Flux ionization constant, pKa of the membrane permeability coefficient of the compound	ChEMBL.	17418579
Potency (functional)	= 0.0631 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 0.3162 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)	0.3264 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.6964 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)	4.7304 uM	PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.3898 uM	PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	47.3079 uM	PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	55.8834 uM	PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 63.0957 um	PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	66.8242 uM	PubChem BioAssay. qHTS assay to identify small molecules that stimulate interleukin-8 (IL-8) secretion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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.

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External resources for this compound

Search by CAS
ChEMBL: CHEMBL288470
DrugBank: DB01424
PubChem: 6009

Bibliographic References

38 literature references were collected for this gene.

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Detailed information for compound 59219