TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 451.518 | Formula: C24H29N5O4
H donors: 0 H acceptors: 4 LogP: 2.34 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC1COCC1)CN(C(=O)Cn1nc(nc1C)C)Cc1cccnc1
InChi: 1S/C24H29N5O4/c1-17-26-18(2)29(27-17)15-24(30)28(14-20-5-4-9-25-12-20)13-19-6-7-22(23(11-19)31-3)33-21-8-10-32-16-21/h4-7,9,11-12,21H,8,10,13-16H2,1-3H3
InChiKey: LBRWARGTFSPZEY-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
Schistosoma mansoni	dynactin subunit P25	0.0008	0.0027	0.0259
Loa Loa (eye worm)	AUR protein kinase	0.0167	0.0943	1
Trypanosoma cruzi	hypothetical protein	0.0008	0.0027	0.0285
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0024	0.0251
Trypanosoma cruzi	serine acetyltransferase, putative	0.0008	0.0027	0.0285
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0028	0.0002
Entamoeba histolytica	protein kinase, putative	0.0167	0.0943	1
Plasmodium falciparum	mannose-1-phosphate guanyltransferase, putative	0.0008	0.0027	0.0259
Entamoeba histolytica	serine acetyltransferase 1	0.0008	0.0027	0.0259
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0024	0.0251
Entamoeba histolytica	protein kinase domain containing protein	0.0167	0.0943	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0024	0.0251
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0318	0.1817	0.1795
Entamoeba histolytica	acetyltransferase, putative	0.0008	0.0027	0.0259
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0028	0.0002
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0951	0.5479	1
Trypanosoma cruzi	Translation initiation factor eIF-2B subunit epsilon, putative	0.0008	0.0027	0.0285
Trichomonas vaginalis	mannose-1-phosphate guanyltransferase, putative	0.0008	0.0027	0.0285
Trichomonas vaginalis	helicase, putative	0.0008	0.0024	0.0251
Brugia malayi	serine/threonine kinase 12	0.0167	0.0943	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.029	0.0482
Plasmodium falciparum	liver specific protein 2, putative	0.0008	0.0027	0.0259
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0064	0.0349	0.1797
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0024	0.0251
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0024	0.0251
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	0.1733	1	1
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.1733	1	1
Entamoeba histolytica	protein kinase, putative	0.0167	0.0943	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.004	0.0141
Trypanosoma brucei	hypothetical protein, conserved	0.0008	0.0027	0.0285
Entamoeba histolytica	ankyrin, putative	0.0008	0.0027	0.0259
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.0393	0.4147
Echinococcus multilocularis	cpg binding protein	0.0036	0.0185	0.0291
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0167	0.0943	1
Trichomonas vaginalis	AGC family protein kinase	0.0167	0.0943	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.029	0.2869
Entamoeba histolytica	acetyltransferase, putative	0.0008	0.0027	0.0259
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0007	0.0053
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0167	0.0943	1
Entamoeba histolytica	acetyltransferase, putative	0.0008	0.0027	0.0259
Trichomonas vaginalis	maltose O-acetyltransferase, putative	0.0008	0.0027	0.0285
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0024	0.0251
Trypanosoma cruzi	hypothetical protein, conserved	0.0008	0.0027	0.0285
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0028	0.027
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0004	0.0003	0.0034
Trypanosoma brucei	GDP-mannose pyrophosphorylase	0.0008	0.0027	0.0285
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0024	0.0251
Trichomonas vaginalis	glucose-1-phosphate thymidylyltransferase, putative	0.0008	0.0027	0.0285
Trypanosoma cruzi	hypothetical protein, conserved	0.0008	0.0027	0.0285
Entamoeba histolytica	acetyltransferase, putative	0.0008	0.0027	0.0259
Schistosoma mansoni	gdp-mannose pyrophosphorylase b isoform 2	0.0008	0.0027	0.0259
Loa Loa (eye worm)	histone methyltransferase	0.001	0.004	0.0141
Trypanosoma cruzi	hypothetical protein, conserved	0.0008	0.0027	0.0285
Entamoeba histolytica	maltose O-acetyltransferase, putative	0.0008	0.0027	0.0259
Chlamydia trachomatis	acyl-ACP--UDP-N-acetylglucosamine O-acyltransferase	0.0008	0.0027	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.029	0.2869
Trypanosoma brucei	aurora B kinase	0.0167	0.0943	1
Trypanosoma cruzi	GDP-mannose pyrophosphorylase	0.0008	0.0027	0.0285
Mycobacterium ulcerans	hypothetical protein	0.0318	0.1817	0.1795
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0008	0.0027	0.0259
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.004	0.0024
Trypanosoma brucei	hypothetical protein, conserved	0.0008	0.0027	0.0285
Trichomonas vaginalis	AGC family protein kinase	0.0167	0.0943	1
Echinococcus granulosus	cpg binding protein	0.0036	0.0185	0.173
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.029	0.3053
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0024	0.0251
Trypanosoma brucei	nucleotidyl transferase, putative	0.0008	0.0027	0.0285
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0024	0.0251
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0027	0.0285
Chlamydia trachomatis	UDP-3-O-acylglucosamine N-acyltransferase	0.0008	0.0027	0.5
Trypanosoma cruzi	serine acetyltransferase, putative	0.0008	0.0027	0.0285
Trypanosoma cruzi	GDP-mannose pyrophosphorylase	0.0008	0.0027	0.0285
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0167	0.0943	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.029	0.3053
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0028	0.0012
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0318	0.1817	0.1795
Trichomonas vaginalis	AGC family protein kinase	0.0167	0.0943	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0024	0.0251
Entamoeba histolytica	maltose O-acetyltransferase, putative	0.0008	0.0027	0.0259
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.1733	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0008	0.0027	0.0285
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.029	0.2869
Entamoeba histolytica	acetyltransferase, putative	0.0008	0.0027	0.0259
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0167	0.0943	0.1681
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0024	0.0251
Entamoeba histolytica	serine acetyltransferase 1	0.0008	0.0027	0.0259
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0028	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0024	0.0251
Trichomonas vaginalis	AGC family protein kinase	0.0167	0.0943	1
Leishmania major	protein kinase, putative	0.0167	0.0943	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0024	0.0251
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0167	0.0943	1
Entamoeba histolytica	bacterial transferase hexapeptide family protein	0.0008	0.0027	0.0259
Brugia malayi	CXXC zinc finger family protein	0.0034	0.0174	0.1609
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0024	0.0251
Trichomonas vaginalis	maltose O-acetyltransferase, putative	0.0008	0.0027	0.0285
Trichomonas vaginalis	sugar-1-phosphate guanyl transferase, putative	0.0008	0.0027	0.0285
Trichomonas vaginalis	hypothetical protein	0.0004	0.0003	0.0034
Loa Loa (eye worm)	AUR protein kinase	0.0167	0.0943	1
Entamoeba histolytica	translation initiation factor eIF-2B epsilon subunit, putative	0.0008	0.0027	0.0259
Brugia malayi	serine/threonine protein kinase 6	0.0167	0.0943	1
Toxoplasma gondii	aurora kinase	0.0167	0.0943	0.5119
Brugia malayi	serine/threonine-protein kinase 6	0.0167	0.0943	1
Schistosoma mansoni	hypothetical protein	0.0008	0.0027	0.0259
Entamoeba histolytica	bacterial transferase hexapeptide family protein	0.0008	0.0027	0.0259
Schistosoma mansoni	mannose-1-phosphate guanyltransferase	0.0008	0.0027	0.0259
Trypanosoma cruzi	aurora B kinase, putative	0.0167	0.0943	1
Entamoeba histolytica	protein kinase , putative	0.0167	0.0943	1
Loa Loa (eye worm)	AUR protein kinase	0.0167	0.0943	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0034	0.0174	0.1609
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0167	0.0943	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.029	0.2869
Schistosoma mansoni	glucosamine-1-phosphate N-acetyltransferase	0.0008	0.0027	0.0259
Trypanosoma cruzi	hypothetical protein, conserved	0.0008	0.0027	0.0285
Toxoplasma gondii	eukaryotic initiation factor-2B, gamma subunit, putative	0.0318	0.1817	1
Echinococcus granulosus	aurora kinase A	0.0167	0.0943	1
Schistosoma mansoni	serine/threonine protein kinase	0.0167	0.0943	1
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0167	0.0943	1
Trichomonas vaginalis	conserved hypothetical protein	0.0004	0.0003	0.0034
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0039	0.0133
Plasmodium falciparum	dynactin subunit 5, putative	0.0008	0.0027	0.0259
Schistosoma mansoni	protein kinase	0.0167	0.0943	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0024	0.0251
Echinococcus multilocularis	aurora kinase A	0.0167	0.0943	0.1681
Treponema pallidum	licC protein (licC)	0.0318	0.1817	0.5
Schistosoma mansoni	DNA polymerase epsilon catalytic subunit	0.0008	0.0027	0.0259
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.029	0.0482
Mycobacterium ulcerans	hypothetical protein	0.0318	0.1817	0.1795
Giardia lamblia	Aurora kinase	0.0167	0.0943	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.029	0.3053
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0024	0.0251
Mycobacterium ulcerans	molybdopterin-guanine dinucleotide biosynthesis protein A	0.0318	0.1817	0.1795
Schistosoma mansoni	cpg binding protein	0.0034	0.0174	0.1826
Schistosoma mansoni	cpg binding protein	0.0036	0.0185	0.1944
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0024	0.0251
Schistosoma mansoni	cpg binding protein	0.0036	0.0185	0.1944
Entamoeba histolytica	serine acetyltransferase, putative	0.0008	0.0027	0.0259
Entamoeba histolytica	acetyltransferase, putative	0.0008	0.0027	0.0259
Onchocerca volvulus		0.0034	0.0174	0.5

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 820601