TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.456 | Formula: C21H25N5O
H donors: 1 H acceptors: 4 LogP: 2.61 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCCCc1nc2c(n1CCc1nn(c3c1cncc3)C(C)C)cccc2
InChi: 1S/C21H25N5O/c1-15(2)26-19-9-11-22-14-16(19)17(24-26)10-12-25-20-7-4-3-6-18(20)23-21(25)8-5-13-27/h3-4,6-7,9,11,14-15,27H,5,8,10,12-13H2,1-2H3
InChiKey: IBGPOUDSRIYGJX-UHFFFAOYSA-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
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0152	0.0222
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.3613	0.5268
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1062	0.1548
Onchocerca volvulus	Chorion peroxidase homolog	0.0027	0.1074	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.133	0.194
Onchocerca volvulus	Peroxidase homolog	0.0027	0.1074	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2235	0.2235
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0575	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0946	1
Echinococcus multilocularis	dna polymerase eta	0.0044	0.2174	0.2174
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.1074	0.1566
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.133	0.133
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0946	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.133	0.133
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0575	0.5
Leishmania major	DNA polymerase eta, putative	0.0044	0.2174	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.2174	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0355	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0355	0.1067
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2235	0.3259
Brugia malayi	Blistered cuticle protein 3	0.0027	0.1074	0.1566
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0199	0.0299
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2235	0.2235
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0575	0.0839
Onchocerca volvulus		0.0027	0.1074	1
Echinococcus multilocularis	GPCR, family 2	0.0031	0.133	0.133
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0138	0.0201
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0575	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0031	0.133	0.194
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0355	0.0355
Echinococcus multilocularis	lamin dm0	0.0027	0.1062	0.1062
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.6857	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.5579	0.8136
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2174	0.317
Echinococcus multilocularis	musashi	0.0027	0.1062	0.1062
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.1339	0.5897
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0273	0.0398
Loa Loa (eye worm)	animal heme peroxidase	0.0027	0.1074	0.1566
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0575	0.5
Schistosoma mansoni	intermediate filament proteins	0.0027	0.1062	0.1062
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Brugia malayi	Peroxidasin	0.0027	0.1074	0.1566
Schistosoma mansoni	hypothetical protein	0.0036	0.1622	0.1622
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0575	0.0575
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0575	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.1339	1
Onchocerca volvulus	Peroxidasin homolog	0.0027	0.1074	1
Echinococcus granulosus	intermediate filament protein	0.0027	0.1062	0.1062
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0355	0.0355
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.1062	0.1548
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0355	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0946	0.1379
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0575	0.0839
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0575	0.2146
Schistosoma mansoni	peroxidasin	0.0027	0.1074	0.1074
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0183	0.0183
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.1074	0.1566
Schistosoma mansoni	hypothetical protein	0.0011	0.0073	0.0073
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0575	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0138	0.0201
Leishmania major	DNA polymerase eta, putative	0.0031	0.1339	0.5897
Schistosoma mansoni	hypothetical protein	0.0067	0.3613	0.3613
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.1622	0.1622
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0575	0.0575
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0575	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Schistosoma mansoni	hypothetical protein	0.0031	0.133	0.133
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.5579	0.8136
Loa Loa (eye worm)	hypothetical protein	0.0067	0.3613	0.5268
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.1074	0.1566
Onchocerca volvulus		0.0027	0.1074	1
Echinococcus granulosus	GPCR family 2	0.0031	0.133	0.133
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Brugia malayi	intermediate filament protein	0.0027	0.1062	0.1548
Onchocerca volvulus		0.0027	0.1062	0.9884
Schistosoma mansoni	hypothetical protein	0.0031	0.133	0.133
Brugia malayi	hypothetical protein	0.0016	0.0385	0.0562
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0355	0.0355
Onchocerca volvulus	Peroxidasin homolog	0.0027	0.1074	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0183	0.0267
Brugia malayi	MH2 domain containing protein	0.0118	0.6857	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0273	0.0398
Onchocerca volvulus		0.0027	0.1062	0.9884
Echinococcus multilocularis	lamin	0.0027	0.1062	0.1062
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.1074	0.1566
Schistosoma mansoni	peroxidasin	0.0027	0.1074	0.1074
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0355	0.0355
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0183	0.0183
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0355	0.0518
Trypanosoma brucei	unspecified product	0.0013	0.0199	0.0299
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2235	0.3259
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0138	0.0201
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.133	0.133
Entamoeba histolytica	hypothetical protein	0.0036	0.1622	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Trypanosoma brucei	unspecified product	0.0019	0.0575	0.2146
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0575	0.2146
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0575	0.2146
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Onchocerca volvulus		0.0027	0.1074	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.1062	0.1548
Onchocerca volvulus	Peroxidase homolog	0.0027	0.1074	1
Loa Loa (eye worm)	animal heme peroxidase	0.0027	0.1074	0.1566
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2235	0.2235
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.1622	0.1622
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0575	1
Schistosoma mansoni	hypothetical protein	0.0031	0.133	0.133
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0355	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0098	0.5579	0.8136
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2235	0.2235
Entamoeba histolytica	hypothetical protein	0.0036	0.1622	1
Schistosoma mansoni	lamin	0.0027	0.1062	0.1062
Entamoeba histolytica	hypothetical protein	0.0036	0.1622	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0073	0.0073
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0355	0.0355
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0575	0.0575
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0073	0.0073
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0355	0.1067
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0946	0.3968
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.1062	0.1548
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0575	0.0575
Onchocerca volvulus	Dual oxidase homolog	0.0027	0.1074	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.5579	0.8136
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Echinococcus multilocularis	peroxidasin	0.0027	0.1074	0.1074
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.133	0.194
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2235	0.2235
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0152	0.0222
Loa Loa (eye worm)	blistered cuticle protein 3	0.0027	0.1074	0.1566
Brugia malayi	hypothetical protein	0.0027	0.1074	0.1566
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0355	0.1067
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2235	0.2235
Brugia malayi	hypothetical protein	0.0036	0.1622	0.2365
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0355	0.0355
Schistosoma mansoni	DNA polymerase eta	0.0044	0.2174	0.2174
Echinococcus granulosus	dna polymerase eta	0.0044	0.2174	0.2174
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2235	0.2235
Schistosoma mansoni	hypothetical protein	0.0031	0.133	0.133
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0946	0.3968
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.6857	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0946	0.3968
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0138	0.0201
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.133	0.194
Echinococcus granulosus	lamin	0.0027	0.1062	0.1062
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0946	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.2174	1
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.1074	0.1566
Brugia malayi	hypothetical protein	0.0025	0.0946	0.1379
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.133	0.133
Trypanosoma brucei	unspecified product	0.0013	0.0199	0.0299
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0355	0.0518
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.1622	0.1622
Loa Loa (eye worm)	animal heme peroxidase	0.0027	0.1074	0.1566
Echinococcus granulosus	lamin dm0	0.0027	0.1062	0.1062
Loa Loa (eye worm)	animal heme peroxidase	0.0027	0.1074	0.1566
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0575	0.2146
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0575	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0575	0.2146
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0946	0.6006
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0355	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0026	0.103	0.1503
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0199	0.0299
Entamoeba histolytica	hypothetical protein	0.0036	0.1622	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0946	0.3968
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0199	0.0299
Schistosoma mansoni	lamin	0.0027	0.1062	0.1062
Loa Loa (eye worm)	CYP4Cod1	0.0012	0.0138	0.0201
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.2174	0.317
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1074	0.1566
Echinococcus granulosus	peroxidasin	0.0027	0.1074	0.1074

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: CHEMBL2335211

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 1730247