TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 434.488 | Formula: C24H26N4O4
H donors: 4 H acceptors: 6 LogP: 1.43 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OCc1cnc(c(c1/C=N/c1cc(C)c(cc1/N=C/c1c(CO)cnc(c1O)C)C)O)C
InChi: 1S/C24H26N4O4/c1-13-5-21(27-9-19-17(11-29)7-25-15(3)23(19)31)22(6-14(13)2)28-10-20-18(12-30)8-26-16(4)24(20)32/h5-10,29-32H,11-12H2,1-4H3/b27-9+,28-10+
InChiKey: ZEFZDHLZQBSZLT-YEBYOEETSA-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	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Trypanosoma brucei	unspecified product	0.0041	0.0928	0.0962
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0511	0.0529
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-kinase	0.0014	0.0047	0.0047
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0047	0.0047
Schistosoma mansoni	rotamase	0.0036	0.0773	0.1437
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0014	0.0047	0.0088
Echinococcus granulosus	expressed protein	0.0036	0.0773	0.1362
Leishmania major	DNA polymerase eta, putative	0.0095	0.2706	0.2804
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.1307	0.1355
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0773	0.0729
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0041	0.0928	0.1727
Mycobacterium ulcerans	hypothetical protein	0.0161	0.4885	1
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0014	0.0047	0.0088
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase-like, putative	0.0014	0.0047	0.0049
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0145	0.4346	0.4505
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.0928	0.1901
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0317	1	1
Brugia malayi	MH2 domain containing protein	0.0129	0.3838	0.7138
Treponema pallidum	fructose-bisphosphate aldolase	0.0317	1	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0041	0.0928	0.1727
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.3838	0.7138
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0041	0.0928	0.0886
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0041	0.0928	0.1654
Echinococcus multilocularis	expressed protein	0.0036	0.0773	0.1362
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.3838	0.7138
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0041	0.0928	0.0962
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0047	0.0049
Echinococcus granulosus	dna polymerase eta	0.0095	0.2706	0.4989
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0317	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Loa Loa (eye worm)	hypothetical protein	0.0174	0.5317	0.989
Leishmania major	phosphatidylinositol (3,5) kinase, putative	0.0014	0.0047	0.0049
Brugia malayi	ImpB/MucB/SamB family protein	0.0095	0.2706	0.5033
Leishmania major	phosphatidylinositol-4-phosphate 5-kinase-like, putative	0.0014	0.0047	0.0049
Trypanosoma cruzi	DNA polymerase eta, putative	0.0095	0.2706	0.2804
Onchocerca volvulus		0.0176	0.5376	1
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0176	0.5376	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0317	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.0928	0.0962
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0998	0.1034
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0155	0.4671	0.946
Leishmania major	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Trypanosoma brucei	phosphatidylinositol phosphate kinase alpha	0.0014	0.0047	0.0049
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0315	0.9945	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Giardia lamblia	Hypothetical protein	0.0014	0.0047	0.0047
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0176	0.5376	1
Trichomonas vaginalis	rotamase, putative	0.0035	0.0745	0.0701
Loa Loa (eye worm)	pip kinase 1	0.0014	0.0047	0.0088
Schistosoma mansoni	DNA polymerase eta	0.0095	0.2706	0.5033
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0317	1	1
Toxoplasma gondii	hypothetical protein	0.0049	0.1206	0.1212
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0317	1	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.5376	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0067	0.1777	0.1842
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.0928	0.1901
Leishmania major	mitochondrial DNA polymerase beta	0.0306	0.9649	1
Toxoplasma gondii	aminopeptidase N protein	0.0315	0.9945	1
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0036	0.0773	0.1437
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0047	0.0049
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Loa Loa (eye worm)	FYVE finger-containing phosphoinositide kinase	0.0014	0.0047	0.0088
Echinococcus multilocularis	dna polymerase eta	0.0095	0.2706	0.4989
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type I	0.0014	0.0047	0.0088
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0306	0.9649	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0035	0.0745	0.0772
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase-like, putative	0.0014	0.0047	0.0049
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0155	0.4671	0.5
Loa Loa (eye worm)	FYVE zinc finger family protein	0.0014	0.0047	0.0088
Schistosoma mansoni	hypothetical protein	0.0164	0.4965	0.9236
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0306	0.9649	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0155	0.4671	0.9563
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0047	0.0049
Trypanosoma cruzi	phosphatidylinositol 4-phosphate 5-kinase alpha, putative	0.0014	0.0047	0.0049
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0317	1	1
Trypanosoma brucei	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0047	0.0049
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0511	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0095	0.2706	0.5033
Toxoplasma gondii	peptidylprolyl isomerase	0.0035	0.0745	0.0749
Brugia malayi	FYVE finger-containing phosphoinositide kinase, putative	0.0014	0.0047	0.0088
Giardia lamblia	Phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0047	0.0047
Echinococcus multilocularis	geminin	0.0164	0.4965	0.9229
Trypanosoma brucei	unspecified product	0.0028	0.0511	0.0529
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0036	0.0773	0.1437
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0176	0.5376	1
Echinococcus granulosus	dna polymerase kappa	0.0041	0.0928	0.1654
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0041	0.0928	0.0886
Trichomonas vaginalis	DNA polymerase eta, putative	0.0041	0.0928	0.0886
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0041	0.0928	0.1654
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0998	0.1034
Trypanosoma cruzi	phosphatidylinositol (3,5) kinase, putative	0.0014	0.0047	0.0049
Plasmodium vivax	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0047	0.0047
Trypanosoma brucei	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0047	0.0049
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-Kinase	0.0014	0.0047	0.0047
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0511	0.0529
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0035	0.0745	0.0772
Brugia malayi	N-terminal motif family protein	0.0174	0.5317	0.989
Leishmania major	phosphatidylinositol-4-phosphate 5-kinase-like protein	0.0014	0.0047	0.0049
Trypanosoma brucei	phosphatidylinositol (3,5) kinase, putative	0.0014	0.0047	0.0049
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-Kinase	0.0014	0.0047	0.0047
Plasmodium falciparum	phosphatidylinositol-4-phosphate 5-kinase	0.0014	0.0047	0.0047
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0998	0.1034
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase type II beta, putative	0.0014	0.0047	0.0049
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0998	0.1034
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.0928	0.0962
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0315	0.9945	1
Echinococcus granulosus	geminin	0.0164	0.4965	0.9229
Brugia malayi	Pip kinase protein 1	0.0014	0.0047	0.0088
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0145	0.4346	0.4505
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0306	0.9649	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0161	0.4885	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0317	1	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0035	0.0745	0.0772
Giardia lamblia	DINP protein human, muc B family	0.0041	0.0928	0.0928
Giardia lamblia	Fructose-bisphosphate aldolase	0.0317	1	1
Schistosoma mansoni	phosphatidylinositol-4-phosphate-5-kinaseputativ e	0.0014	0.0047	0.0088
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.0928	0.0962
Leishmania major	DNA polymerase eta, putative	0.0067	0.1777	0.1842
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0035	0.0745	0.0772
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Toxoplasma gondii	aminopeptidase N, putative	0.0315	0.9945	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0145	0.4346	0.4505
Leishmania major	phosphatidylinositol-4-phosphate-5-kinase-likep ro tein	0.0014	0.0047	0.0049
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0928	0.0962
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0317	1	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0041	0.0928	0.1727
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0067	0.1777	0.1787
Trypanosoma brucei	DNA polymerase eta, putative	0.0095	0.2706	0.2804
Toxoplasma gondii	aminopeptidase n, putative	0.0315	0.9945	1
Echinococcus multilocularis	dna polymerase kappa	0.0041	0.0928	0.1654
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0035	0.0745	0.0701
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0317	1	1
Loa Loa (eye worm)	pip kinase 2	0.0176	0.5376	1
Brugia malayi	Pip kinase protein 2	0.0176	0.5376	1
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0176	0.5376	1
Schistosoma mansoni	hypothetical protein	0.0164	0.4965	0.9236
Brugia malayi	ImpB/MucB/SamB family protein	0.0041	0.0928	0.1727
Trypanosoma brucei	unspecified product	0.0028	0.0511	0.0529
Trichomonas vaginalis	rotamase, putative	0.0036	0.0773	0.0729

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: CHEMBL2097127

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 1661425