TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.823 | Formula: C18H19ClN4O
H donors: 2 H acceptors: 2 LogP: 3.88 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1n[nH]c(c1)C(=O)N(Cc1cccc2c1cc[nH]2)CC1CCC1
InChi: 1S/C18H19ClN4O/c19-17-9-16(21-22-17)18(24)23(10-12-3-1-4-12)11-13-5-2-6-15-14(13)7-8-20-15/h2,5-9,12,20H,1,3-4,10-11H2,(H,21,22)
InChiKey: CISLGIZTSRLFTL-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, muscle	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Echinococcus multilocularis	pyruvate kinase	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
Echinococcus multilocularis	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126685	All targets in OG5_126685
Mycobacterium ulcerans	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Schistosoma mansoni	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Leishmania braziliensis	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
Candida albicans	pyruvate kinase	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
Theileria parva	pyruvate kinase, putative	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
Trypanosoma congolense	pyruvate kinase 1, putative	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 gambiense	pyruvate kinase 1, 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
Entamoeba histolytica	pyruvate kinase, putative	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
Loa Loa (eye worm)	hypothetical protein	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
Brugia malayi	Pyruvate kinase, muscle isozyme	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
Loa Loa (eye worm)	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
Plasmodium falciparum	pyruvate kinase	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
Trichomonas vaginalis	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
Onchocerca volvulus	Pyruvate kinase homolog	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
Brugia malayi	Pyruvate kinase, M2 isozyme	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
Chlamydia trachomatis	pyruvate kinase	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
Babesia bovis	pyruvate kinase, putative	Get druggable targets OG5_126685	All targets in OG5_126685
Cryptosporidium parvum	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
Schistosoma japonicum	Pyruvate kinase isozyme R, putative	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
Echinococcus granulosus	pyruvate kinase	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
Leishmania braziliensis	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
Leishmania infantum	pyruvate kinase	Get druggable targets OG5_126685	All targets in OG5_126685
Plasmodium yoelii	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
Onchocerca volvulus	Pyruvate kinase homolog	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
Giardia lamblia	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
Echinococcus granulosus	pyruvate kinase	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
Schistosoma mansoni	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, muscle	605 aa	521 aa	34.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.004	0.0204	0.0126
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0702	1	1
Loa Loa (eye worm)	pyruvate kinase	0.004	0.0204	0.0204
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0702	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0331	0.451	0.4396
Schistosoma mansoni	nuclear hormone receptor	0.0331	0.451	0.4396
Schistosoma mansoni	coup transcription factor	0.0702	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0702	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0371	0.5098	0.4996
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Loa Loa (eye worm)	hypothetical protein	0.0371	0.5098	0.5098
Loa Loa (eye worm)	hypothetical protein	0.004	0.0204	0.0204
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0702	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0702	1	1
Leishmania major	pyruvate kinase	0.004	0.0204	1
Loa Loa (eye worm)	pyruvate kinase-PB	0.0028	0.0024	0.0024
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0702	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0331	0.451	0.451
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.004	0.0204	0.5
Trypanosoma cruzi	pyruvate kinase 2, putative	0.004	0.0204	1
Brugia malayi	conserved hypotetical protein	0.0331	0.451	0.451
Brugia malayi	steroid hormone receptor	0.0702	1	1
Brugia malayi	nuclear receptor RXR	0.0371	0.5098	0.5098
Entamoeba histolytica	pyruvate kinase, putative	0.0028	0.0024	0.5
Echinococcus multilocularis	pyruvate kinase	0.004	0.0204	0.0127
Schistosoma mansoni	RAR-like nuclear receptor	0.0702	1	1
Brugia malayi	hypothetical protein	0.0371	0.5098	0.5098
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0331	0.451	0.4467
Brugia malayi	Nuclear hormone receptor-like 1	0.0371	0.5098	0.5098
Brugia malayi	tailless protein	0.0331	0.451	0.451
Mycobacterium leprae	Probable pyruvate kinase PykA	0.004	0.0204	0.5
Brugia malayi	nuclear hormone receptor	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.0702	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0331	0.451	0.451
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0702	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0331	0.451	0.451
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0702	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0702	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0702	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0702	1	1
Echinococcus multilocularis	pyruvate kinase	0.004	0.0204	0.0127
Brugia malayi	Nuclear hormone receptor-like 1	0.0702	1	1
Loa Loa (eye worm)	pyruvate kinase	0.004	0.0204	0.0204
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.0702	1	1
Plasmodium falciparum	pyruvate kinase	0.004	0.0204	1
Loa Loa (eye worm)	hypothetical protein	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0702	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0371	0.5098	0.4996
Schistosoma mansoni	nuclear receptor nhr-48	0.0331	0.451	0.4396
Schistosoma mansoni	retinoic acid receptor RXR	0.0702	1	1
Brugia malayi	Sodium:solute symporter family protein	0.004	0.0204	0.0204
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0702	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0702	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0331	0.451	0.451
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0331	0.451	0.4396
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0331	0.451	0.4467
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0024	0.0024
Trypanosoma brucei	pyruvate kinase 1, putative	0.004	0.0204	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Schistosoma mansoni	nuclear hormone receptor	0.0702	1	1
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.004	0.0204	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0331	0.451	0.4396
Brugia malayi	nuclear receptor RXR	0.0331	0.451	0.451
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0702	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0702	1	1
Onchocerca volvulus		0.0331	0.451	0.4396
Schistosoma mansoni	nuclear receptor	0.0331	0.451	0.4396
Schistosoma mansoni	nuclear hormone receptor	0.0331	0.451	0.4396
Brugia malayi	orphan nuclear receptor NR2E1	0.0331	0.451	0.451
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0702	1	1
Chlamydia trachomatis	pyruvate kinase	0.004	0.0204	0.5
Echinococcus multilocularis	high affinity choline transporter 1	0.0365	0.5011	0.4971
Loa Loa (eye worm)	hypothetical protein	0.0702	1	1
Brugia malayi	GH02984p	0.0365	0.5011	0.5011
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0702	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0702	1	1
Brugia malayi	nuclear receptor NHR-88	0.0331	0.451	0.451
Schistosoma mansoni	thyroid hormone receptor	0.0702	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0331	0.451	0.4396
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0702	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0331	0.451	0.4396
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0331	0.451	0.4467
Brugia malayi	Nuclear hormone receptor E75	0.0331	0.451	0.451
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0702	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0371	0.5098	0.4996
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0702	1	1
Leishmania major	pyruvate kinase	0.004	0.0204	1
Loa Loa (eye worm)	hypothetical protein	0.0365	0.5011	0.5011
Brugia malayi	nuclear hormone receptor	0.0331	0.451	0.451
Loa Loa (eye worm)	hypothetical protein	0.0702	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0371	0.5098	0.5098
Loa Loa (eye worm)	hypothetical protein	0.0702	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0331	0.451	0.4396
Brugia malayi	photoreceptor-specific nuclear receptor	0.0702	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Schistosoma mansoni	thyroid hormone receptor	0.0702	1	1
Loa Loa (eye worm)	DR-78	0.0331	0.451	0.451
Brugia malayi	nuclear receptor NHR-67	0.0331	0.451	0.451
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0331	0.451	0.451
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0331	0.451	0.4467
Onchocerca volvulus	Bile acid receptor homolog	0.0702	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0702	1	1
Toxoplasma gondii	pyruvate kinase PyK1	0.004	0.0204	1
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.004	0.0204	0.9986
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0702	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0371	0.5098	0.5098
Loa Loa (eye worm)	hypothetical protein	0.0371	0.5098	0.5098
Brugia malayi	Pyruvate kinase, M2 isozyme	0.004	0.0204	0.0204
Echinococcus granulosus	FTZ F1 alpha	0.0702	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0702	1	1
Schistosoma mansoni	nuclear receptor	0.0331	0.451	0.4396
Loa Loa (eye worm)	hypothetical protein	0.0371	0.5098	0.5098
Brugia malayi	Pyruvate kinase, muscle isozyme	0.004	0.0204	0.0204
Echinococcus multilocularis	FTZ F1 alpha	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.0371	0.5098	0.5098
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0702	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0702	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0702	1	1
Echinococcus multilocularis	solute carrier family 5	0.004	0.0204	0.0126
Onchocerca volvulus	Protein ultraspiracle homolog	0.0702	1	1
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.004	0.0204	0.0126
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0702	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0331	0.451	0.4396
Schistosoma mansoni	zinc finger protein	0.0331	0.451	0.4396
Trichomonas vaginalis	pyruvate kinase, putative	0.004	0.0204	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0702	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0702	1	1
Trichomonas vaginalis	pyruvate kinase, putative	0.004	0.0204	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0702	1	1
Mycobacterium ulcerans	pyruvate kinase	0.004	0.0204	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.0371	0.5098	0.5098
Trypanosoma brucei	pyruvate kinase 1	0.004	0.0204	1
Brugia malayi	ecdysone receptor	0.0331	0.451	0.451
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0371	0.5098	0.5059
Onchocerca volvulus		0.0331	0.451	0.4396
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0702	1	1
Loa Loa (eye worm)	pyruvate kinase	0.004	0.0204	0.0204
Onchocerca volvulus		0.0702	1	1
Brugia malayi	hypothetical protein	0.0331	0.451	0.451
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0331	0.451	0.4396
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0702	1	1
Brugia malayi	nuclear receptor NHR-88	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.0702	1	1
Echinococcus granulosus	high affinity choline transporter 1	0.0365	0.5011	0.4907
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0702	1	1
Brugia malayi	hypothetical protein	0.0331	0.451	0.451
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0331	0.451	0.451
Brugia malayi	hypothetical protein	0.0371	0.5098	0.5098
Plasmodium vivax	pyruvate kinase, putative	0.004	0.0204	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0702	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0702	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0702	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0331	0.451	0.4467
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Echinococcus granulosus	ecdysone induced protein 78C	0.0702	1	1
Schistosoma mansoni	high-affinity choline transporter	0.0365	0.5011	0.4907
Trypanosoma cruzi	pyruvate kinase 2, putative	0.004	0.0204	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0331	0.451	0.4396
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Loa Loa (eye worm)	steroid hormone receptor	0.0702	1	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.451	0.451
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0331	0.451	0.451
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0331	0.451	0.4467
Loa Loa (eye worm)	hypothetical protein	0.0702	1	1
Giardia lamblia	Pyruvate kinase	0.004	0.0204	0.5
Echinococcus granulosus	nuclear receptor nhr 48	0.0331	0.451	0.4396
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0702	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	= 0.757 uM	Activation of PKM2 (unknown origin) assessed as PEP conversion to pyruvate measured as concentration required for 50% activation by luminescence assay	ChEMBL.	24374270
Activity (binding)	= 6.73 uM	Activation of PKM2 in human A549 cells	ChEMBL.	24374270
max activation (binding)	= 125 %	Activation of PKM2 (unknown origin) assessed as PEP conversion to pyruvate by luminescence assay relative to FBP	ChEMBL.	24374270

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: CHEMBL3104585

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 1819786