TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 393.481 | Formula: C19H31N5O4
H donors: 6 H acceptors: 4 LogP: 1.81 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NNc1ccccc1)C(O)C)C(C)C)C
InChi: 1S/C19H31N5O4/c1-11(2)15(21-17(26)12(3)20-5)18(27)22-16(13(4)25)19(28)24-23-14-9-7-6-8-10-14/h6-13,15-16,20,23,25H,1-5H3,(H,21,26)(H,22,27)(H,24,28)/t12-,13?,15-,16-/m0/s1
InChiKey: YOBWRFPWSISANW-DXSPHCOUSA-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
Entamoeba histolytica	protein kinase, putative	0.0059	0.0714	0.0378
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0017	0.0038	0.0038
Echinococcus multilocularis	cyclin dependent kinase 5	0.0049	0.0553	0.0553
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0038	0.0038
Echinococcus multilocularis	cyclin dependent kinase 1	0.0049	0.0553	0.0553
Schistosoma mansoni	casein kinase II beta subunit	0.0036	0.0349	0.0349
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0049	0.0553	0.0517
Trichomonas vaginalis	CMGC family protein kinase	0.063	1	1
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0059	0.0714	0.0378
Trypanosoma cruzi	cdc2-related kinase 1	0.0049	0.0553	0.0211
Trypanosoma brucei	cdc2-related kinase 3	0.0049	0.0553	0.0211
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0059	0.0714	0.0714
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0038	0.0038
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Echinococcus granulosus	cGMP dependent protein kinase	0.0017	0.0038	0.0038
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0065	0.0824	0.0824
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0049	0.0553	0.0553
Echinococcus granulosus	voltage gated potassium channel	0.0023	0.0134	0.0134
Onchocerca volvulus		0.0054	0.0632	0.2614
Trichomonas vaginalis	CMGC family protein kinase	0.063	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0016	0.0016
Trichomonas vaginalis	CMGC family protein kinase	0.063	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0054	0.0632	0.0293
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0016	0.0016	0.0016
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0016	0.0016	0.0016
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0163	0.2418	1
Schistosoma mansoni	voltage-gated potassium channel	0.0086	0.1165	0.1165
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.063	1	1
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0036	0.0349	0.1445
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0632	0.0617
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0054	0.0632	0.0293
Giardia lamblia	Kinase, CMGC DYRK	0.0059	0.0714	0.0378
Schistosoma mansoni	voltage-gated potassium channel	0.0023	0.0134	0.0134
Plasmodium falciparum	glycogen synthase kinase 3	0.0054	0.0632	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0824	0.0824
Echinococcus multilocularis	cyclin dependent kinase 1	0.0049	0.0553	0.0553
Echinococcus granulosus	dual specificity	0.0059	0.0714	0.0714
Giardia lamblia	Kinase, CMGC GSK	0.0054	0.0632	0.0293
Toxoplasma gondii	CMGC kinase, CK2 family	0.063	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0173	0.2575	0.2575
Giardia lamblia	Kinase, CMGC CDK	0.0049	0.0553	0.0211
Trypanosoma cruzi	cdc2-related kinase 3	0.0049	0.0553	0.0211
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0074	0.0962	0.0948
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0553	0.0538
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0065	0.0824	0.0824
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Plasmodium falciparum	casein kinase 2, alpha subunit	0.063	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Entamoeba histolytica	protein kinase domain containing protein	0.0173	0.2575	0.2307
Entamoeba histolytica	cell division protein kinase 2, putative	0.0049	0.0553	0.0211
Entamoeba histolytica	protein kinase domain containing protein	0.0059	0.0714	0.0378
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Trichomonas vaginalis	CMGC family protein kinase	0.063	1	1
Echinococcus multilocularis	casein kinase ii subunit alpha	0.063	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0447	0.0447
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0054	0.0632	0.0293
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0714	0.0699
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.063	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0038	0.0038
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0054	0.0632	0.0632
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0134	0.0134
Schistosoma mansoni	voltage-gated potassium channel	0.0016	0.0016	0.0016
Trypanosoma cruzi	cdc2-related kinase 3	0.0049	0.0553	0.0211
Plasmodium falciparum	casein kinase II beta chain	0.0036	0.0349	0.0312
Echinococcus granulosus	dual specificity	0.0059	0.0714	0.0714
Brugia malayi	Protein kinase domain containing protein	0.0163	0.2418	0.2418
Loa Loa (eye worm)	CMGC/DYRK/HIPK protein kinase	0.0173	0.2575	0.2575
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0714	0.0699
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0049	0.0553	0.0517
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Trypanosoma cruzi	casein kinase II, putative	0.063	1	1
Brugia malayi	Egg laying defective protein 4	0.0017	0.0038	0.0038
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0163	0.2418	0.2418
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0016	0.0016	0.0016
Echinococcus granulosus	protein kinase shaggy	0.0054	0.0632	0.0632
Onchocerca volvulus		0.0065	0.0824	0.3409
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0016	0.0016	0.0016
Trichomonas vaginalis	CMGC family protein kinase	0.063	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0714	0.0699
Echinococcus multilocularis	cyclin dependent kinase	0.0049	0.0553	0.0553
Echinococcus granulosus	cyclin dependent kinase	0.0049	0.0553	0.0553
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0036	0.0349	0.0312
Echinococcus multilocularis	dual specificity	0.0059	0.0714	0.0714
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0016	0.0016	0.0016
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0714	0.0699
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0553	0.0538
Giardia lamblia	Kinase, CMGC CK2	0.063	1	1
Loa Loa (eye worm)	Csnk2b protein	0.0036	0.0349	0.0349
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0074	0.0962	0.0948
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0016	0.0016	0.0016
Trypanosoma brucei	protein kinase, putative	0.0054	0.0632	0.0293
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0065	0.0824	0.0824
Echinococcus multilocularis	dual specificity	0.0059	0.0714	0.0714
Schistosoma mansoni	voltage-gated potassium channel	0.0023	0.0134	0.0134
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0016	0.0016	0.0016
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0065	0.0824	0.0824
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0016	0.0016	0.0016
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0059	0.0714	0.0378
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0553	0.0538
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0059	0.0714	0.0714
Plasmodium falciparum	protein kinase 5	0.0049	0.0553	0.0517
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0054	0.0632	0.0596
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0632	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0877	0.0877
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0059	0.0714	0.0679
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0079	0.1047	0.1047
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0079	0.1047	0.1047
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0016	0.0016	0.0016
Schistosoma mansoni	hypothetical protein	0.0065	0.0824	0.0824
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0016	0.0016	0.0016
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0054	0.0632	0.0632
Echinococcus multilocularis	expressed conserved protein	0.0017	0.0038	0.0038
Schistosoma mansoni	serine/threonine protein kinase	0.0163	0.2418	0.2418
Brugia malayi	Homeodomain interacting protein kinase protein 1	0.0173	0.2575	0.2575
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0714	0.0699
Schistosoma mansoni	serine/threonine protein kinase	0.0049	0.0553	0.0553
Entamoeba histolytica	protein kinase domain containing protein	0.0054	0.0632	0.0293
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0163	0.2418	0.2418
Schistosoma mansoni	serine/threonine protein kinase	0.0059	0.0714	0.0714
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0049	0.0553	0.0517
Plasmodium vivax	protein kinase Crk2	0.0049	0.0553	0.0211
Onchocerca volvulus	Deterin homolog	0.0065	0.0824	0.3409
Trichomonas vaginalis	CMGC family protein kinase	0.063	1	1
Brugia malayi	intracellular kinase	0.0054	0.0632	0.0632
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0163	0.2418	0.2418
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0049	0.0553	0.0553
Echinococcus granulosus	dual specificity	0.0059	0.0714	0.0714
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0163	0.2418	0.2418
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0059	0.0714	0.0679
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0017	0.0038	0.0038
Echinococcus granulosus	hyperpolarization activated cyclic	0.0016	0.0016	0.0016
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0079	0.1047	0.1047
Giardia lamblia	Kinase, CMGC CDK	0.0049	0.0553	0.0211
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0065	0.0824	0.0824
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0017	0.0038	0.0038
Trypanosoma brucei	cdc2-related kinase 1	0.0049	0.0553	0.0211
Schistosoma mansoni	serine/threonine protein kinase	0.0049	0.0553	0.0553
Brugia malayi	Protein kinase domain containing protein	0.0049	0.0553	0.0553
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0016	0.0016	0.0016
Trypanosoma brucei	Casein kinase II	0.063	1	1
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0065	0.0824	0.0824
Echinococcus granulosus	casein kinase ii subunit beta	0.0036	0.0349	0.0349
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0054	0.0632	0.0632
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0016	0.0016	0.0016
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Echinococcus multilocularis	voltage gated potassium channel	0.0023	0.0134	0.0134
Echinococcus granulosus	hyperpolarization activated cyclic	0.0016	0.0016	0.0016
Leishmania major	casein kinase II, putative	0.063	1	1
Plasmodium falciparum	casein kinase II beta chain	0.0036	0.0349	0.0312
Brugia malayi	Csnk2b protein	0.0036	0.0349	0.0349
Schistosoma mansoni	protein kinase	0.063	1	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0049	0.0553	0.0211
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0079	0.1047	0.1047
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0054	0.0632	0.0632
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0036	0.0349	0.1445
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0824	0.0824
Echinococcus multilocularis	homeodomain interacting protein kinase 3	0.0173	0.2575	0.2575
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0016	0.0016	0.0016
Brugia malayi	cell division control protein 2 homolog	0.0049	0.0553	0.0553
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0049	0.0553	0.0553
Entamoeba histolytica	casein kinase, putative	0.063	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0023	0.0134	0.0134
Toxoplasma gondii	ck2 beta subunit	0.0036	0.0349	0.0312
Echinococcus granulosus	casein kinase ii subunit alpha	0.063	1	1
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0017	0.0038	0.0038
Echinococcus granulosus	cyclin dependent kinase 1	0.0049	0.0553	0.0553
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0017	0.0038	0.0038
Giardia lamblia	Kinase, CMGC GSK	0.0054	0.0632	0.0293
Echinococcus multilocularis	casein kinase ii subunit beta	0.0036	0.0349	0.0349
Entamoeba histolytica	protein kinase domain containing protein	0.063	1	1
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0016	0.0016	0.0016
Echinococcus multilocularis	dual specificity	0.0059	0.0714	0.0714
Echinococcus granulosus	homeodomain interacting protein kinase 3	0.0173	0.2575	0.2575
Plasmodium vivax	unspecified product	0.063	1	1
Echinococcus multilocularis	protein kinase shaggy	0.0054	0.0632	0.0632
Echinococcus granulosus	inhibitor of apoptosis protein	0.0065	0.0824	0.0824
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0049	0.0553	0.0553
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0054	0.0632	0.0596
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0163	0.2418	0.2418
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0023	0.0134	0.0134
Schistosoma mansoni	voltage-gated potassium channel	0.0086	0.1165	0.1165
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0023	0.0134	0.0134
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0054	0.0632	0.0632
Schistosoma mansoni	inhibitor of apoptosis protein	0.0065	0.0824	0.0824
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0016	0.0016	0.0016
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0016	0.0016	0.0016
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0714	0.0699
Trypanosoma cruzi	cdc2-related kinase 1	0.0049	0.0553	0.0211
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0036	0.0349	0.0312
Entamoeba histolytica	protein kinase, putative	0.0054	0.0632	0.0293
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0036	0.0349	0.0334
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0016	0.0016	0.0016
Trichomonas vaginalis	CMGC family protein kinase	0.063	1	1
Echinococcus granulosus	cyclin dependent kinase 5	0.0049	0.0553	0.0553

Activities

No activities found for this compound.

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: CHEMBL1622692

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1470039