TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 359.441 | Formula: C17H14FN3OS2
H donors: 0 H acceptors: 1 LogP: 3.51 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CSc1sc2c(c1)n(c1c2cnn(c1=O)Cc1ccccc1F)C
InChi: 1S/C17H14FN3OS2/c1-20-13-7-14(23-2)24-16(13)11-8-19-21(17(22)15(11)20)9-10-5-3-4-6-12(10)18/h3-8H,9H2,1-2H3
InChiKey: KNCIHDGEEMFGMQ-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	pyruvate kinase, liver and RBC	Starlite/ChEMBL	No references
Homo sapiens	pyruvate kinase, muscle	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Loa Loa (eye worm)	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Trypanosoma brucei	pyruvate kinase 1, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania mexicana	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania infantum	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Loa Loa (eye worm)	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Loa Loa (eye worm)	pyruvate kinase-PB	Get druggable targets OG5_126685	All targets in OG5_126685
Plasmodium berghei	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania braziliensis	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Candida albicans	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Onchocerca volvulus	Pyruvate kinase homolog	Get druggable targets OG5_126685	All targets in OG5_126685
Echinococcus multilocularis	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	Get druggable targets OG5_126685	All targets in OG5_126685
Plasmodium vivax	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Trypanosoma cruzi	pyruvate kinase 2, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Onchocerca volvulus	Pyruvate kinase homolog	Get druggable targets OG5_126685	All targets in OG5_126685
Brugia malayi	Pyruvate kinase, muscle isozyme	Get druggable targets OG5_126685	All targets in OG5_126685
Echinococcus granulosus	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Trypanosoma brucei	pyruvate kinase 1	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania donovani	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Trypanosoma congolense	pyruvate kinase 1, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Onchocerca volvulus	Pyruvate kinase homolog	Get druggable targets OG5_126685	All targets in OG5_126685
Babesia bovis	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Neospora caninum	Pyruvate kinase (EC 2.7.1.40), related	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania braziliensis	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Echinococcus multilocularis	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Plasmodium knowlesi	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania major	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Plasmodium falciparum	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Theileria parva	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Trichomonas vaginalis	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Mycobacterium ulcerans	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Trypanosoma brucei gambiense	pyruvate kinase 1, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Echinococcus granulosus	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Chlamydia trachomatis	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Toxoplasma gondii	pyruvate kinase PyK1	Get druggable targets OG5_126685	All targets in OG5_126685
Candida albicans	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Schistosoma japonicum	ko:K00873 pyruvate kinase [EC2.7.1.40], putative	Get druggable targets OG5_126685	All targets in OG5_126685
Entamoeba histolytica	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Brugia malayi	Pyruvate kinase, M2 isozyme	Get druggable targets OG5_126685	All targets in OG5_126685
Trypanosoma cruzi	pyruvate kinase 2, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126685	All targets in OG5_126685
Plasmodium yoelii	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Loa Loa (eye worm)	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Echinococcus multilocularis	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania infantum	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Cryptosporidium hominis	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania mexicana	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Schistosoma japonicum	Pyruvate kinase isozyme R, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Trypanosoma brucei gambiense	pyruvate kinase 1, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania major	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Mycobacterium leprae	Probable pyruvate kinase PykA	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania braziliensis	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Trichomonas vaginalis	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Giardia lamblia	Pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126685	All targets in OG5_126685
Schistosoma mansoni	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Cryptosporidium parvum	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	pyruvate kinase	pyruvate kinase, liver and RBC	574 aa	524 aa	36.3 %
Echinococcus granulosus	pyruvate kinase	pyruvate kinase, muscle	605 aa	521 aa	34.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0091	0.2951	0.4172
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1718	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1572	0.1572
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1718	0.0202
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.1718	0.375
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.1718	0.375
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0091	0.2951	0.4172
Echinococcus multilocularis	pyruvate kinase	0.0081	0.2549	0.7964
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0091	0.2951	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0081	0.2549	0.5
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0081	0.2549	0.6899
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0136	0.4762	1
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0091	0.2951	0.4172
Echinococcus granulosus	cytochrome P450 2K1	0.0091	0.2951	1
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0091	0.2951	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0136	0.4762	0.4762
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.1718	0.0202
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0091	0.2951	0.4172
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0074	0.2267	0.1968
Leishmania major	cytochrome p450-like protein	0.0091	0.2951	0.4172
Echinococcus multilocularis		0.0091	0.2951	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0225	0.8344	0.8344
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1718	0.0202
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0081	0.2549	0.2878
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.2267	0.6838
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0091	0.2951	0.4172
Mycobacterium leprae	putative cytochrome p450	0.0091	0.2951	1
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0091	0.2951	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0081	0.2549	0.2878
Brugia malayi	Cytochrome P450 family protein	0.0136	0.4762	0.4762
Trypanosoma brucei	pyruvate kinase 1, putative	0.0081	0.2549	0.2878
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0058	0.1655	0.3433
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0091	0.2951	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0091	0.2951	1
Schistosoma mansoni	cytochrome P450	0.0091	0.2951	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0074	0.2267	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0081	0.2549	0.2549
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0091	0.2951	0.4172
Loa Loa (eye worm)	CYP4Cod1	0.0136	0.4762	0.4762
Loa Loa (eye worm)	cytochrome P450	0.0091	0.2951	0.2951
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0091	0.2951	0.4172
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0091	0.2951	0.4172
Trichomonas vaginalis	pyruvate kinase, putative	0.0081	0.2549	1
Trypanosoma brucei	pyruvate kinase 1	0.0081	0.2549	0.2878
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0074	0.2267	0.6531
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0091	0.2951	0.4172
Echinococcus granulosus	ubiquitin specific protease 41	0.0074	0.2267	0.6531
Echinococcus multilocularis	ubiquitin specific protease 41	0.0074	0.2267	0.6531
Schistosoma mansoni	ap endonuclease	0.0058	0.1655	0.3433
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0091	0.2951	0.4172
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0091	0.2951	0.4172
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0091	0.2951	0.4172
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0091	0.2951	0.4172
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0074	0.2267	0.6838
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.1718	0.0483
Loa Loa (eye worm)	cytochrome P450 family protein	0.0266	1	1
Schistosoma mansoni	ap endonuclease	0.0058	0.1655	0.3433
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0074	0.2267	0.6838
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0091	0.2951	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0074	0.2267	0.2267
Toxoplasma gondii	exonuclease III APE	0.0058	0.1655	0.3433
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0074	0.2267	0.6531
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0091	0.2951	0.4172
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0074	0.2267	0.8201
Giardia lamblia	Pyruvate kinase	0.0081	0.2549	1
Schistosoma mansoni	hypothetical protein	0.0091	0.2951	1
Loa Loa (eye worm)	pyruvate kinase	0.0081	0.2549	0.2549
Echinococcus granulosus	pyruvate kinase	0.0081	0.2549	0.7964
Leishmania major	cytochrome p450-like protein	0.0091	0.2951	0.4172
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0091	0.2951	0.4172
Onchocerca volvulus	Pyruvate kinase homolog	0.0081	0.2549	0.5
Brugia malayi	exodeoxyribonuclease III family protein	0.0058	0.1655	0.1655
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0058	0.1655	0.4311
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0058	0.1655	0.5
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0074	0.2267	1
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.0024	0.0297	0.0297
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0074	0.2267	0.6531
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0074	0.2267	0.6531
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0091	0.2951	1
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0091	0.2951	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0091	0.2951	1
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0091	0.2951	0.4172
Chlamydia trachomatis	pyruvate kinase	0.0081	0.2549	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0136	0.4762	1
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0091	0.2951	0.4172
Brugia malayi	Cytochrome P450 family protein	0.0091	0.2951	0.2951
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0091	0.2951	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0136	0.4762	0.4762
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0058	0.1655	0.3433
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0091	0.2951	0.4172
Echinococcus multilocularis	pyruvate kinase	0.0064	0.1869	0.4516
Trichomonas vaginalis	pyruvate kinase, putative	0.0081	0.2549	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0074	0.2267	0.1968
Echinococcus granulosus	pyruvate kinase	0.0081	0.2549	0.7964
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0091	0.2951	1
Brugia malayi	follicle stimulating hormone receptor	0.0225	0.8344	0.8344
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0091	0.2951	1
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0091	0.2951	0.4172
Leishmania major	cytochrome p450-like protein	0.0136	0.4762	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0091	0.2951	1
Schistosoma mansoni	pyruvate kinase	0.0081	0.2549	0.7964
Mycobacterium ulcerans	pyruvate kinase	0.0081	0.2549	0.2878
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0091	0.2951	0.4172
Mycobacterium leprae	Conserved hypothetical protein	0.0091	0.2951	1
Plasmodium falciparum	pyruvate kinase	0.0081	0.2549	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0058	0.1655	0.1193
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0091	0.2951	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0091	0.2951	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.113	0.113
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0058	0.1655	0.4311
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0091	0.2951	0.4172
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0081	0.2549	0.2549
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2267	0.2267
Loa Loa (eye worm)	pyruvate kinase-PB	0.0056	0.1572	0.1572
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0058	0.1655	0.1655
Echinococcus multilocularis	pyruvate kinase	0.0081	0.2549	0.7964
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0074	0.2267	0.1968
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1718	0.375
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0074	0.2267	0.6531
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0091	0.2951	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0091	0.2951	0.4172
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0074	0.2267	0.6531
Schistosoma mansoni	pyruvate kinase	0.0081	0.2549	0.7964
Leishmania major	pyruvate kinase	0.0081	0.2549	0.2878
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0091	0.2951	0.4172
Brugia malayi	cytochrome P450	0.0091	0.2951	0.2951
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.1718	0.375
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0058	0.1655	0.5
Loa Loa (eye worm)	pyruvate kinase	0.0081	0.2549	0.2549
Brugia malayi	Cytochrome P450 family protein	0.0136	0.4762	0.4762
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0091	0.2951	1
Trypanosoma brucei	cytochrome P450, putative	0.0136	0.4762	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0081	0.2549	0.7964
Plasmodium vivax	pyruvate kinase, putative	0.0081	0.2549	1
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0091	0.2951	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0091	0.2951	0.4172
Leishmania major	pyruvate kinase	0.0081	0.2549	0.2878
Onchocerca volvulus	Pyruvate kinase homolog	0.0081	0.2549	0.5
Loa Loa (eye worm)	pyruvate kinase	0.0081	0.2549	0.2549
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0091	0.2951	1
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0091	0.2951	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0058	0.1655	0.4311
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0091	0.2951	1
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0081	0.2549	0.2549
Trypanosoma cruzi	cytochrome P450, putative	0.0136	0.4762	1
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1718	0.375
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0091	0.2951	0.4172

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	= 0.024 uM	Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay	ChEMBL.	20451379
Activity (binding)		Activation of PKR assessed as ATP product formation by luminescent pyruvate kinase-luciferase coupled assay	ChEMBL.	20451379
Activity (binding)		Activation of PKL assessed as pyruvate formation by fluorescent pyruvate kinase-lactate dehydrogenase coupled assay	ChEMBL.	20451379
Activity (binding)		Activation of PKR assessed as pyruvate formation by fluorescent pyruvate kinase-lactate dehydrogenase coupled assay	ChEMBL.	20451379
Activity (binding)		Activation of PKL assessed as ATP product formation by luminescent pyruvate kinase-luciferase coupled assay	ChEMBL.	20451379
Activity (binding)	= 96 %	Maximum activation of human PKM2 assessed as ATP product formation at 57 uM after 1 hr by luminescent pyruvate kinase-luciferase coupled assay relative to fructose-1,6-bis-phosphate	ChEMBL.	20451379
Potency (functional)	= 0.0004 um	PUBCHEM_BIOASSAY: Secondary assay for Activators of Human Liver Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 954 (Counter assay for activators of Human Pyruvate Kinase M2 isoform)]	ChEMBL.	No reference
Potency (functional)	= 0.0032 um	PUBCHEM_BIOASSAY: Secondary assay for Activators of Human Pyruvate Kinase M1 isoform. (Class of assay: confirmatory) [Related pubchem assays: 954 (Counter assay for activators of Human Pyruvate Kinase M2 isoform)]	ChEMBL.	No reference
Potency (functional)	= 0.0142 um	PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 954, 1631 ]	ChEMBL.	No reference
Potency (functional)	= 0.7079 um	PUBCHEM_BIOASSAY: Secondary assay for Activators of Human Pyruvate Kinase M2 isoform. (Class of assay: confirmatory) [Related pubchem assays: 1634, 1631 ]	ChEMBL.	No reference
Potency (functional)	= 0.7079 um	PUBCHEM_BIOASSAY: Secondary assay for Activators of Human Reticulocyte Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 954 (Counter assay for activators of Human Pyruvate Kinase M2 isoform)]	ChEMBL.	No reference

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: CHEMBL1086565

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1134825