TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 531.561 | Formula: C22H21N5O7S2
H donors: 4 H acceptors: 8 LogP: 3.02 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CCNS(=O)(=O)c1cccc(c1)n1nc(c(c1O)/N=N\c1c(O)cc(c2c1cccc2)S(=O)(=O)O)C
InChi: 1S/C22H21N5O7S2/c1-3-23-35(30,31)15-8-6-7-14(11-15)27-22(29)20(13(2)26-27)24-25-21-17-10-5-4-9-16(17)19(12-18(21)28)36(32,33)34/h4-12,23,28-29H,3H2,1-2H3,(H,32,33,34)/b25-24+
InChiKey: FQIXIPZMENYGHV-OCOZRVBESA-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

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
Trypanosoma brucei	cdc2-related kinase 3	0.0082	0.1149	0.3071
Trichomonas vaginalis	cyclin B, putative	0.0066	0.0784	0.5573
Brugia malayi	Pax transcription factor protein 2	0.041	0.839	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.0262	0.0262
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0151	0.2666	0.8298
Plasmodium vivax	ataxin-2 like protein, putative	0.0067	0.082	0.6315
Trichomonas vaginalis	cyclins, putative	0.0066	0.0784	0.5573
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0346	0.0321
Schistosoma mansoni	hypothetical protein	0.0031	0.0025	0.0025
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0066	0.0784	0.1815
Loa Loa (eye worm)	pax transcription factor protein 2	0.041	0.839	0.8386
Echinococcus multilocularis	isocitrate dehydrogenase	0.0042	0.0257	0.0257
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0262	0.0262
Entamoeba histolytica	protein kinase domain containing protein	0.0151	0.2666	1
Entamoeba histolytica	cyclin, putative	0.0066	0.0784	0.2767
Brugia malayi	hypothetical protein	0.0043	0.0293	0.032
Schistosoma mansoni	hypothetical protein	0.0033	0.0064	0.0064
Schistosoma mansoni	aryl hydrocarbon receptor	0.0038	0.0175	0.0175
Trypanosoma cruzi	adenosine kinase, putative	0.0173	0.316	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0082	0.1149	0.3071
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1112	0.109
Echinococcus multilocularis	cyclin dependent kinase 5	0.0082	0.1149	0.1149
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.0262	0.0262
Echinococcus granulosus	cyclin B	0.0066	0.0784	0.0784
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0082	0.1149	0.3071
Echinococcus multilocularis	cyclin dependent kinase 1	0.0082	0.1149	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0179	0.0154
Onchocerca volvulus		0.0153	0.2724	0.255
Schistosoma mansoni	cyclin B	0.0066	0.0784	0.0784
Trypanosoma cruzi	cyclin, putative	0.0066	0.0784	0.1815
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.0262	0.0262
Trypanosoma brucei	adenosine kinase, putative	0.0173	0.316	1
Trypanosoma cruzi	cyclin, putative	0.0066	0.0784	0.1815
Loa Loa (eye worm)	hypothetical protein	0.0254	0.4943	0.493
Onchocerca volvulus		0.041	0.839	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0067	0.082	0.1939
Plasmodium falciparum	ataxin-2 like protein, putative	0.0067	0.082	0.6315
Trypanosoma brucei	cdc2-related kinase 1	0.0082	0.1149	0.3071
Entamoeba histolytica	cell division protein kinase 2, putative	0.0082	0.1149	0.4168
Echinococcus granulosus	cyclin dependent kinase 5	0.0082	0.1149	0.1149
Schistosoma mansoni	single-minded	0.0038	0.0175	0.0175
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0082	0.1149	0.3071
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.0262	0.0262
Onchocerca volvulus		0.0254	0.4943	0.5468
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.0784	0.0907
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0118	0.194	0.192
Leishmania major	adenosine kinase, putative	0.0173	0.316	1
Trichomonas vaginalis	cyclins, putative	0.0066	0.0784	0.5573
Plasmodium falciparum	ataxin-2 like protein, putative	0.0067	0.082	0.6315
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0151	0.2666	0.8298
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0042	0.0257	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0262	0.0262
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0082	0.1149	0.1126
Trypanosoma brucei	mitotic cyclin 6	0.0066	0.0784	0.1815
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0042	0.0262	0.0283
Brugia malayi	Protein kinase domain containing protein	0.0082	0.1149	0.1343
Echinococcus granulosus	dual specificity	0.0151	0.2666	0.2666
Plasmodium vivax	protein kinase Crk2	0.0082	0.1149	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0042	0.0262	0.0238
Schistosoma mansoni	transcription factor LCR-F1	0.0033	0.0064	0.0064
Toxoplasma gondii	LsmAD domain-containing protein	0.0067	0.082	0.1939
Echinococcus multilocularis	cyclin B	0.0066	0.0784	0.0784
Echinococcus granulosus	cyclin dependent kinase 1	0.0082	0.1149	0.1149
Echinococcus granulosus	geminin	0.0418	0.8558	0.8558
Trichomonas vaginalis	cyclin B, putative	0.0066	0.0784	0.5573
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0784	0.0761
Loa Loa (eye worm)	hypothetical protein	0.0231	0.444	0.4425
Brugia malayi	PAS domain containing protein	0.0038	0.0175	0.0179
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0082	0.1149	0.1149
Trichomonas vaginalis	cyclins, putative	0.0066	0.0784	0.5573
Brugia malayi	isocitrate dehydrogenase	0.0042	0.0257	0.0277
Schistosoma mansoni	serine/threonine protein kinase	0.0082	0.1149	0.1149
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0151	0.2666	0.8298
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0033	0.0064	0.0064
Brugia malayi	hypothetical protein	0.0128	0.2159	0.2551
Schistosoma mansoni	serine/threonine protein kinase	0.0082	0.1149	0.1149
Plasmodium falciparum	protein kinase 5	0.0082	0.1149	1
Schistosoma mansoni	hypothetical protein	0.0418	0.8558	0.8558
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0042	0.0257	0.0257
Brugia malayi	Isocitrate dehydrogenase	0.0042	0.0257	0.0277
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0042	0.0257	0.0232
Giardia lamblia	Kinase, CMGC CDK	0.0082	0.1149	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0046	0.0346	0.0383
Echinococcus granulosus	cyclin dependent kinase	0.0082	0.1149	0.1149
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.1149	1
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.1149	1
Giardia lamblia	Kinase, CMGC CDK	0.0082	0.1149	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0033	0.0064	0.0064
Brugia malayi	hypothetical protein	0.0231	0.444	0.5277
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2629	0.2611
Schistosoma mansoni	adenosine kinase	0.0173	0.316	0.316
Entamoeba histolytica	cell division protein kinase 2, putative	0.0082	0.1149	0.4168
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2629	0.2611
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0483	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0082	0.1149	0.1149
Toxoplasma gondii	kinase, pfkB family protein	0.0173	0.316	1
Brugia malayi	Protein kinase domain containing protein	0.0151	0.2666	0.3157
Loa Loa (eye worm)	hypothetical protein	0.0173	0.316	0.3143
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0042	0.0257	0.0257
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0082	0.1149	0.1126
Entamoeba histolytica	protein kinase, putative	0.0151	0.2666	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0784	0.0761
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0082	0.1149	0.3071
Trichomonas vaginalis	cyclin A, putative	0.0066	0.0784	0.5573
Echinococcus multilocularis	adenosine kinase	0.0173	0.316	0.316
Schistosoma mansoni	serine/threonine protein kinase	0.0151	0.2666	0.2666
Trypanosoma cruzi	cdc2-related kinase 3	0.0082	0.1149	0.3071
Leishmania major	cyclin	0.0066	0.0784	0.1815
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0046	0.0346	0.0383
Trypanosoma cruzi	cdc2-related kinase 3	0.0082	0.1149	0.3071
Echinococcus multilocularis	cyclin dependent kinase	0.0082	0.1149	0.1149
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0042	0.0257	0.0257
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0046	0.0346	0.0321
Trypanosoma cruzi	cyclin 6, putative	0.0066	0.0784	0.1815
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0151	0.2666	0.2647
Schistosoma mansoni	hypothetical protein	0.0418	0.8558	0.8558
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.1149	1
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0483	1	1
Brugia malayi	MH2 domain containing protein	0.041	0.8383	0.9992
Brugia malayi	hypothetical protein	0.0033	0.0064	0.0046
Trichomonas vaginalis	cyclin B, putative	0.0066	0.0784	0.5573
Loa Loa (eye worm)	MH2 domain-containing protein	0.041	0.8383	0.8379
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.0784	0.0907
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0042	0.0257	0.0257
Trichomonas vaginalis	cyclins, putative	0.0066	0.0784	0.5573
Brugia malayi	hypothetical protein	0.0254	0.4943	0.5879
Trypanosoma cruzi	PAB1-binding protein , putative	0.0067	0.082	0.1939
Echinococcus multilocularis	geminin	0.0418	0.8558	0.8558
Echinococcus multilocularis	dual specificity	0.0151	0.2666	0.2666
Entamoeba histolytica	protein kinase, putative	0.0151	0.2666	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0082	0.1149	0.1126
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0066	0.0784	0.1815
Brugia malayi	hypothetical protein	0.0067	0.082	0.095
Trypanosoma cruzi	adenosine kinase, putative	0.0173	0.316	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0082	0.1149	0.3071
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0151	0.2666	0.8298
Loa Loa (eye worm)	hypothetical protein	0.0067	0.082	0.0797
Echinococcus granulosus	adenosine kinase	0.0173	0.316	0.316
Entamoeba histolytica	hypothetical protein	0.0151	0.2666	1
Loa Loa (eye worm)	hypothetical protein	0.0483	1	1
Brugia malayi	Adenosine kinase-like	0.0173	0.316	0.3747
Trypanosoma cruzi	PAB1-binding protein , putative	0.0067	0.082	0.1939
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0042	0.0257	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0128	0.2159	0.2139
Brugia malayi	cell division control protein 2 homolog	0.0082	0.1149	0.1343
Trypanosoma brucei	adenosine kinase, putative	0.0173	0.316	1
Loa Loa (eye worm)	transcription factor SMAD2	0.041	0.8383	0.8379
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0042	0.0257	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0231	0.444	0.4425
Schistosoma mansoni	adenosine kinase	0.0173	0.316	0.316
Brugia malayi	hypoxia-induced factor 1	0.0118	0.194	0.2289
Leishmania major	hypothetical protein, conserved	0.0067	0.082	0.1939
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0262	0.0262
Trichomonas vaginalis	cyclin B, putative	0.0066	0.0784	0.5573

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 10 uM	Effective concentration for thrombopoietin luciferase activity was determined in BAF-3 cells	ChEMBL.	11606138
Efficacy (binding)	= 25 %	Thrombopoietin luciferase activity in BAF-3 cells	ChEMBL.	11606138

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: 303174

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 213714