TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.45 | Formula: C22H23N5O2
H donors: 2 H acceptors: 4 LogP: 4.55 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)CNc1nn2c(n1)nc(c(c2O)Cc1ccccc1)C
InChi: 1S/C22H23N5O2/c1-3-29-18-11-9-17(10-12-18)14-23-21-25-22-24-15(2)19(20(28)27(22)26-21)13-16-7-5-4-6-8-16/h4-12,28H,3,13-14H2,1-2H3,(H,23,26)
InChiKey: OHNIYJCSTIZLQU-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.3217	0.713
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0099	0.1345	0.1166
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0209	0.3725	0.818
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0175	0.2992	0.6349
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0209	0.3725	0.3649
Brugia malayi	FAT domain containing protein	0.0076	0.0861	0.0751
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.0618	0.126
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0198	0.35	0.759
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.1795	0.392
Trypanosoma cruzi	target of rapamycin kinase 3	0.0198	0.35	0.3299
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.019	0.3321	0.7402
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0196	0.3442	0.764
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0198	0.3499	0.7769
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0198	0.3499	0.7769
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.2095	0.4598
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.2078	0.4558
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0209	0.3725	0.8278
Loa Loa (eye worm)	phosphatidylinositol 3	0.0244	0.4487	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0499	1	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0115	0.1704	0.3205
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0325	0.6227	0.6181
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0115	0.1704	0.1447
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.3217	0.7132
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0076	0.0861	0.0751
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0209	0.3725	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0244	0.4487	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0209	0.3725	0.818
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.3274	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.1795	0.392
Loa Loa (eye worm)	phosphatidylinositol 3	0.0209	0.3725	0.8301
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0099	0.1345	0.124
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0175	0.2992	0.6623
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0244	0.4487	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0325	0.6227	0.6181
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.1852	0.4048
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0099	0.1345	0.124
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0196	0.3442	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0099	0.1345	0.1077
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0209	0.3725	0.3649
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0198	0.35	0.7643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0198	0.3499	0.7769
Toxoplasma gondii	FATC domain-containing protein	0.0115	0.1704	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0977	0.2178
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0209	0.3725	0.8278
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0175	0.2992	0.6429
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0499	1	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0209	0.3725	0.8139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0196	0.3442	0.764
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0709	0.1581
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0115	0.1704	0.1532
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0209	0.3725	0.8139
Entamoeba histolytica	hypothetical protein	0.0115	0.1704	0.151
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0209	0.3725	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0198	0.3499	0.7769
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0166	0.0239
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0198	0.3499	0.7769
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.1345	0.2902
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0042	0.012	0.0266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0196	0.3442	0.764
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1345	0.2997
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0209	0.3725	0.3649
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0099	0.1345	0.124
Echinococcus granulosus	serine protein kinase ATM	0.0115	0.1704	0.1604
Trichomonas vaginalis	conserved hypothetical protein	0.011	0.1588	0.3452
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0209	0.3725	0.8278
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0209	0.3725	0.3531
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0196	0.3442	0.764
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0709	0.1581
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0861	0.192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0196	0.3442	0.764
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0082	0.0977	0.0698
Schistosoma mansoni	serine/threonine protein kinase	0.019	0.3321	0.3183
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0244	0.4487	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0175	0.2992	0.6623
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0618	0.126
Trypanosoma cruzi	hypothetical protein, conserved	0.0103	0.1443	0.1178
Brugia malayi	Protein kinase domain containing protein	0.019	0.3321	0.324
Echinococcus multilocularis	serine protein kinase ATM	0.0115	0.1704	0.1604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0196	0.3442	0.764
Leishmania major	hypothetical protein, conserved	0.0137	0.2169	0.4464
Giardia lamblia	GTOR	0.0209	0.3725	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0115	0.1704	0.3714
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0499	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.3217	0.713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0196	0.3442	0.764
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0175	0.2992	0.6623
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.3217	0.713
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0499	1	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.012	0.1814	0.3473
Schistosoma mansoni	hypothetical protein	0.0076	0.0861	0.0672
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.1795	0.392
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0175	0.2992	0.6623
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.3274	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.3217	0.7132
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0076	0.0861	0.0751
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.3217	0.7132
Loa Loa (eye worm)	hypothetical protein	0.011	0.1588	0.3539
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.3217	0.7132
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0209	0.3725	0.3595
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0168	0.284	0.6282
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0115	0.1704	0.1604
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0209	0.3725	0.3531
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0861	0.181
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0168	0.284	0.6279
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0499	1	1

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

Search by Saint Jude

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 824168