TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.456 | Formula: C21H25N5O
H donors: 1 H acceptors: 1 LogP: 3.71 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c(c1=O)cccc2
InChi: 1S/C21H25N5O/c1-4-5-14-26-20(27)18-8-6-7-9-19(18)23-21(26)24-22-15-16-10-12-17(13-11-16)25(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,23,24)/b22-15+
InChiKey: GMDOOWVSDCWIFD-PXLXIMEGSA-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
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0056	0.0025	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0056	0.0025	0.5
Onchocerca volvulus	Protein UBASH3A homolog	0.0056	0.0025	0.0025
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0056	0.0025	0.6728
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0025	0.0025
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0146	0.03	0.03
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0056	0.0025	0.6728
Mycobacterium leprae	conserved hypothetical protein	0.0056	0.0025	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0056	0.0025	0.0019
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0056	0.0025	0.0019
Schistosoma mansoni	6-phosphofructokinase	0.3322	1	1
Plasmodium falciparum	protein serine/threonine kinase-1	0.0059	0.0034	1
Mycobacterium ulcerans	hypothetical protein	0.196	0.5842	1
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0034	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0059	0.0034	0.0028
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3266	0.9829	0.9829
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0056	0.0025	0.0019
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0056	0.0025	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0025	0.0025
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0056	0.0025	0.0019
Leishmania major	hypothetical protein, unknown function	0.0056	0.0025	0.0019
Treponema pallidum	phosphoglyceromutase	0.0056	0.0025	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0006	0.0006
Onchocerca volvulus	Protein UBASH3A homolog	0.0056	0.0025	0.0025
Onchocerca volvulus	Protein UBASH3A homolog	0.0056	0.0025	0.0025
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0056	0.0025	0.6728
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3322	1	1
Brugia malayi	Protein kinase domain containing protein	0.0059	0.0034	0.0851
Giardia lamblia	Hypothetical protein	0.196	0.5842	1
Brugia malayi	UBASH3A protein homolog	0.0056	0.0025	0.0573
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.196	0.5842	1
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.3322	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0025	0.6728
Echinococcus multilocularis	phosphoglycerate mutase	0.0056	0.0025	0.0019
Mycobacterium leprae	probable isochorismate synthase EntC	0.0056	0.0025	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0031	0.0031
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0056	0.0025	0.0019
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1417	0.4183	0.418
Echinococcus multilocularis	tumor protein p63	0.0328	0.0855	0.0849
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0056	0.0025	0.0019
Echinococcus multilocularis	phosphoglycerate mutase	0.0056	0.0025	0.0019
Brugia malayi	hypoxia-induced factor 1	0.0146	0.03	0.8869
Loa Loa (eye worm)	hypothetical protein	0.3266	0.9829	0.9829
Brugia malayi	phosphoglycerate mutase family protein	0.0056	0.0025	0.0573
Echinococcus granulosus	dual specificity protein kinase clk2	0.0059	0.0034	0.0028
Leishmania major	hypothetical protein, conserved	0.0056	0.0025	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0025	0.0025
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0056	0.0025	0.5
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0056	0.0025	0.0019
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0056	0.0025	0.0019
Schistosoma mansoni	serine/threonine protein kinase	0.0059	0.0034	0.0034
Toxoplasma gondii	phosphoglycerate mutase	0.0056	0.0025	0.6728
Giardia lamblia	Kinase, CMGC CLK	0.0059	0.0034	0.0048
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1417	0.4183	0.418
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0056	0.0025	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3322	1	1
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0056	0.0025	0.0019
Loa Loa (eye worm)	hypothetical protein	0.1904	0.567	0.567
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0059	0.0034	1
Leishmania major	protein kinase, putative	0.0059	0.0034	0.0028
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0056	0.0025	0.0019
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0056	0.0025	0.6728
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0056	0.0025	0.0019
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0056	0.0025	0.5
Mycobacterium tuberculosis	Conserved protein	0.0056	0.0025	0.5
Mycobacterium tuberculosis	Conserved protein	0.0056	0.0025	0.5
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0059	0.0034	0.0028
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0056	0.0025	0.5
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0056	0.0025	0.6728
Leishmania major	hypothetical protein, conserved	0.0056	0.0025	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0337	0.0337
Schistosoma mansoni	hypothetical protein	0.0056	0.0025	0.0025
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0056	0.0025	0.6728
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0056	0.0025	0.6728
Schistosoma mansoni	phosphoglycerate mutase	0.0056	0.0025	0.0025
Echinococcus granulosus	phosphoglycerate mutase	0.0056	0.0025	0.0019
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0056	0.0025	0.6728
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0056	0.0025	0.5
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0056	0.0025	0.5
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0056	0.0025	0.0019
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0056	0.0025	0.5
Onchocerca volvulus		0.0056	0.0025	0.0025
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0056	0.0025	0.0019
Leishmania major	protein kinase, putative	0.0059	0.0034	0.0028
Brugia malayi	hypothetical protein	0.0158	0.0337	1
Echinococcus granulosus	tumor protein p63	0.0328	0.0855	0.0849
Plasmodium vivax	serine/threonine kinase-1, putative	0.0059	0.0034	1
Echinococcus granulosus	phosphoglycerate mutase	0.0056	0.0025	0.0019
Echinococcus granulosus	phosphoglycerate mutase	0.0056	0.0025	0.0019
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0056	0.0025	0.5
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3266	0.9829	0.9829
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1417	0.4183	0.418
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0025	0.6728
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0056	0.0025	0.0019
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0056	0.0025	0.0019
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.3266	0.9829	0.9829
Schistosoma mansoni	hypothetical protein	0.0056	0.0025	0.0025
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.0006	0.0006
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3322	1	1
Schistosoma mansoni	hypothetical protein	0.0056	0.0025	0.0025
Echinococcus multilocularis		0.0058	0.0031	0.0025
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0056	0.0025	0.0019
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0056	0.0025	0.0019
Echinococcus granulosus	phosphoglycerate mutase	0.0056	0.0025	0.0019
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1417	0.4183	0.418
Onchocerca volvulus		0.3322	1	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.196	0.5842	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0056	0.0025	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0025	0.0025
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0059	0.0034	0.0034
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0056	0.0025	0.0019
Onchocerca volvulus		0.0056	0.0025	0.0025
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0056	0.0025	0.0019
Leishmania major	hypothetical protein, conserved	0.0056	0.0025	0.0019
Giardia lamblia	Hypothetical protein	0.196	0.5842	1
Schistosoma mansoni	hypothetical protein	0.0056	0.0025	0.0025
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0056	0.0025	0.5
Onchocerca volvulus	Protein UBASH3A homolog	0.0056	0.0025	0.0025
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0056	0.0025	0.0019
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0056	0.0025	0.0019
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0056	0.0025	0.0019
Schistosoma mansoni	hypothetical protein	0.0056	0.0025	0.0025
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0056	0.0025	0.0019
Echinococcus multilocularis	phosphoglycerate mutase	0.0056	0.0025	0.0019
Leishmania major	phosphoglycerate mutase, putative	0.0056	0.0025	0.0019
Brugia malayi	phosphoglycerate mutase family protein	0.0056	0.0025	0.0573
Echinococcus multilocularis	phosphoglycerate mutase	0.0056	0.0025	0.0019
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0056	0.0025	0.0019
Echinococcus granulosus	phosphoglycerate mutase	0.0056	0.0025	0.0019
Schistosoma mansoni	phosphoglycerate mutase	0.0056	0.0025	0.0025
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0056	0.0025	0.5
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0056	0.0025	0.5
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0059	0.0034	0.0028
Echinococcus multilocularis	phosphoglycerate mutase	0.0056	0.0025	0.0019
Leishmania major	glycerolphosphate mutase, putative	0.0056	0.0025	0.0019
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0059	0.0034	0.0028
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3266	0.9829	0.9829
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0059	0.0034	0.0028
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3322	1	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0056	0.0025	0.6728
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0056	0.0025	0.0019
Loa Loa (eye worm)	phosphoglycerate mutase	0.0056	0.0025	0.0025
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0056	0.0025	0.6728
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0059	0.0034	0.0028
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0056	0.0025	0.0019
Leishmania major	phosphoglycerate mutase protein, putative	0.0056	0.0025	0.0019
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0059	0.0034	0.0028
Onchocerca volvulus		0.0056	0.0025	0.0025
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0056	0.0025	0.0019
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0056	0.0025	0.5
Loa Loa (eye worm)	hypothetical protein	0.3322	1	1
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0056	0.0025	0.0019
Schistosoma mansoni	hypothetical protein	0.0056	0.0025	0.0025
Mycobacterium leprae	conserved hypothetical protein	0.0056	0.0025	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0059	0.0034	0.0034
Echinococcus granulosus	hypothetical protein	0.0058	0.0031	0.0025

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 19 %	Inhibition of PDE4B2 (unknown origin) using FAM-cAMP as substrate at 10 uM after 60 min by fluorescence polarization assay	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: CHEMBL2238362

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1798299