TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 372.461 | Formula: C20H28N4O3
H donors: 1 H acceptors: 3 LogP: 0.3 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COCCn1c(C)cc(c(c1=O)C(c1ccccn1)N1CCN(CC1)C)O
InChi: 1S/C20H28N4O3/c1-15-14-17(25)18(20(26)24(15)12-13-27-3)19(16-6-4-5-7-21-16)23-10-8-22(2)9-11-23/h4-7,14,19,25H,8-13H2,1-3H3
InChiKey: OUNGZAROXGTCKG-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
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0038	0.0037
Mycobacterium ulcerans	methionyl-tRNA synthetase	0.0152	0.1605	1
Brugia malayi	protein ZK524.3	0.0134	0.1399	0.1378
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0099	0.0107
Echinococcus granulosus	aminoacyl tRNA synthase complex interacting	0.0139	0.1455	0.1696
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0461	0.0438
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0038	0.0014
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0136	0.0152
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0099	0.0075
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0136	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1538	0.1778
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0099	0.0108
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0038	0.0037
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Echinococcus granulosus	dnaJ subfamily B	0.0396	0.4282	0.5008
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Onchocerca volvulus		0.0028	0.0236	0.132
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0038	0.0037
Schistosoma mansoni	coup transcription factor	0.001	0.0038	0.0037
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Schistosoma mansoni	leucyl-tRNA synthetase	0.014	0.1467	0.171
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0293	0.0315
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0038	0.0037
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Giardia lamblia	DNA repair protein RAD52	0.0337	0.3629	1
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0038	0.0037
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0038	0.0037
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0461	0.0438
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0136	0.013
Leishmania major	hypothetical protein	0.0139	0.1455	0.8976
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0314	0.0359
Schistosoma mansoni	hypothetical protein	0.0396	0.4282	0.5008
Brugia malayi	hypothetical protein	0.0035	0.0314	0.029
Loa Loa (eye worm)	hypothetical protein	0.001	0.0038	0.0015
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0579	0.067
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0038	0.0037
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0136	0.0416
Schistosoma mansoni	cpg binding protein	0.0029	0.0254	0.0289
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0293	0.027
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0337	0.3629	0.3541
Schistosoma mansoni	methionine-tRNA synthetase	0.0152	0.1605	0.1873
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0038	0.0015
Echinococcus multilocularis	methionine tRNA synthetase	0.0152	0.1605	0.187
Loa Loa (eye worm)	tyrosyl-tRNA synthetase	0.0019	0.0137	0.0132
Schistosoma mansoni	tyrosyl-tRNA synthetase	0.0139	0.1455	0.1696
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0038	0.0015
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0038	0.0037
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0038	0.0037
Echinococcus granulosus	GPCR family 2	0.0015	0.0099	0.0108
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0.1455	0.9063
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0038	0.0037
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0038	0.0037
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0038	0.0014
Trypanosoma brucei	unspecified product	0.0019	0.0136	0.0416
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0099	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1399	0.1615
Onchocerca volvulus		0.0025	0.0206	0.1116
Schistosoma mansoni	hypothetical protein	0.0015	0.0099	0.0108
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0038	0.0037
Loa Loa (eye worm)	hypothetical protein	0.001	0.0038	0.0015
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Trypanosoma cruzi	tyrosyl or methionyl-tRNA synthetase, putative	0.0139	0.1455	0.8976
Onchocerca volvulus		0.0146	0.1538	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0038	0.0014
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0038	0.0014
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0314	0.0359
Wolbachia endosymbiont of Brugia malayi	methionyl-tRNA synthetase	0.0152	0.1605	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0038	0.0037
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0038	0.0014
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0038	0.0037
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0136	0.0152
Echinococcus multilocularis	tyrosyl tRNA synthetase	0.0139	0.1455	0.1694
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0136	0.0416
Toxoplasma gondii	methionyl-tRNA synthetase	0.0291	0.3129	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0136	0.0112
Plasmodium falciparum	tRNA import protein tRIP	0.0139	0.1455	0.2717
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0038	0.0014
Schistosoma mansoni	hypothetical protein	0.0015	0.0099	0.0108
Plasmodium vivax	methionine-tRNA ligase, putative	0.0139	0.1455	0.2717
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0038	0.0015
Trypanosoma brucei	tyrosyl-tRNA synthetase, putative	0.0139	0.1455	0.9018
Leishmania major	tyrosyl or methionyl-tRNA synthetase-like protein	0.0139	0.1455	0.8976
Echinococcus multilocularis	aminoacyl tRNA synthase complex interacting	0.0139	0.1455	0.1694
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0038	0.0037
Schistosoma mansoni	hypothetical protein	0.0015	0.0099	0.0108
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0136	0.0151
Mycobacterium leprae	Probable methionyl-tRNA synthase MetS	0.0152	0.1605	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0099	0.0108
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0038	0.0015
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0461	0.0512
Toxoplasma gondii	tRNA binding domain-containing protein	0.0139	0.1455	0.3608
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0038	0.0037
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0099	0.0086
Schistosoma mansoni	cpg binding protein	0.0029	0.0254	0.0289
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0038	0.0014
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.0784	0.8544	1
Echinococcus granulosus	geminin	0.0164	0.1733	0.2022
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0038	0.0015
Echinococcus multilocularis	cpg binding protein	0.0029	0.0254	0.0289
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0038	0.0037
Entamoeba histolytica	hypothetical protein	0.0035	0.0314	0.018
Schistosoma mansoni	hypothetical protein	0.0015	0.0099	0.0108
Schistosoma mansoni	cpg binding protein	0.0028	0.0236	0.0269
Entamoeba histolytica	hypothetical protein	0.0096	0.0983	0.0859
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0099	0.0107
Plasmodium vivax	hypothetical protein, conserved	0.014	0.1467	0.3302
Leishmania major	hypothetical protein, conserved	0.0139	0.1455	0.8976
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0038	0.0037
Echinococcus granulosus	methionine tRNA synthetase	0.0152	0.1605	0.1873
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0099	0.0086
Loa Loa (eye worm)	hypothetical protein	0.014	0.1467	0.1695
Loa Loa (eye worm)	methionyl-tRNA synthetase	0.0152	0.1605	0.1857
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0038	0.0014
Chlamydia trachomatis	leucine--tRNA ligase	0.014	0.1467	0.0017
Giardia lamblia	Methionyl-tRNA synthetase	0.0139	0.1455	0.3776
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0038	0.0014
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0916	1	1
Echinococcus granulosus	tyrosyl tRNA synthetase	0.0139	0.1455	0.1696
Echinococcus multilocularis	leucyl tRNA synthetase	0.014	0.1467	0.1708
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0038	0.0014
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0025	0.0022
Echinococcus multilocularis	geminin	0.0164	0.1733	0.2019
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0038	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0.1455	0.9063
Trypanosoma cruzi	hypothetical protein, conserved	0.0139	0.1455	0.8976
Brugia malayi	methionyl-tRNA synthetase	0.0152	0.1605	0.1585
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0.1455	0.9063
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0.1455	0.9063
Schistosoma mansoni	methionyl-tRNA synthetase	0.0139	0.1455	0.1696
Entamoeba histolytica	hypothetical protein	0.0139	0.1455	0.1337
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0038	0.0014
Trypanosoma cruzi	hypothetical protein, conserved	0.0139	0.1455	0.8976
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0099	0.0107
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0038	0.0037
Brugia malayi	nuclear receptor NHR-88	0.001	0.0038	0.0014
Chlamydia trachomatis	methionine--tRNA ligase	0.0784	0.8544	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0136	0.0416
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Trypanosoma cruzi	methionyl-tRNA synthetase, putative	0.0152	0.1605	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0236	0.0213
Loa Loa (eye worm)	hypothetical protein	0.001	0.0038	0.0015
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0136	0.0152
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0136	0.0152
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0038	0.0015
Trypanosoma cruzi	tyrosyl or methionyl-tRNA synthetase, putative	0.0139	0.1455	0.8976
Giardia lamblia	Leucyl-tRNA synthetase	0.0134	0.1399	0.3615
Toxoplasma gondii	tRNA ligases class I (M) protein	0.0134	0.1399	0.3394
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0038	0.0037
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0038	0.0037
Schistosoma mansoni	hypothetical protein	0.0033	0.0293	0.0336
Mycobacterium ulcerans	leucyl-tRNA synthetase	0.014	0.1467	0.9058
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0461	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0136	0.013
Loa Loa (eye worm)	hypothetical protein	0.001	0.0038	0.0015
Giardia lamblia	Methionyl-tRNA synthetase	0.0152	0.1605	0.4207
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0136	0.0848
Leishmania major	leucyl-tRNA synthetase, putative	0.014	0.1467	0.9058
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0785	0.8557	1
Trypanosoma brucei	methionyl-tRNA synthetase, putative	0.0152	0.1605	1
Plasmodium vivax	methionine--tRNA ligase, putative	0.0152	0.1605	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0314	0.018
Plasmodium falciparum	methionine--tRNA ligase	0.0152	0.1605	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0038	0.0037
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0314	0.0359
Loa Loa (eye worm)	hypothetical protein	0.001	0.0038	0.0015
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, beta chain PheT	0.0139	0.1455	0.8976
Echinococcus granulosus	cpg binding protein	0.0029	0.0254	0.0289
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit beta	0.0139	0.1455	0.8976
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0038	0.0037
Entamoeba histolytica	hypothetical protein	0.0035	0.0314	0.018
Wolbachia endosymbiont of Brugia malayi	leucyl-tRNA synthetase	0.014	0.1467	0.0803
Brugia malayi	hypothetical protein	0.0146	0.1538	0.1518
Schistosoma mansoni	methionine-tRNA synthetase	0.0784	0.8544	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0038	0.0037
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0025	0.0022
Schistosoma mansoni	hypothetical protein	0.0164	0.1733	0.2022
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0236	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0778	0.8476	0.9934
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0136	0.0416
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0136	0.0112
Brugia malayi	nuclear hormone receptor	0.001	0.0038	0.0014
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0136	0.0848
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0038	0.0015
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.0784	0.8544	0.9985
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0038	0.0014
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0038	0.0037
Entamoeba histolytica	hypothetical protein	0.0139	0.1455	0.1337
Loa Loa (eye worm)	multisynthetase complex auxiliary component p43	0.0783	0.8532	1
Treponema pallidum	methionyl-tRNA synthetase	0.0916	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0038	0.0015
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0038	0.0037
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0136	0.0152
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0038	0.0014
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0136	0.0416
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0038	0.0037
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0038	0.0014
Loa Loa (eye worm)	hypothetical protein	0.001	0.0038	0.0015
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0038	0.0037
Schistosoma mansoni	hypothetical protein	0.0035	0.0314	0.0359
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0038	0.0037
Leishmania major	methionyl-tRNA synthetase, putative	0.0152	0.1605	1
Trichomonas vaginalis	methionyl-tRNA synthetase, putative	0.0139	0.1455	0.9063
Brugia malayi	steroid hormone receptor	0.001	0.0038	0.0014
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0038	0.0014
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0038	0.0014
Schistosoma mansoni	hypothetical protein	0.0164	0.1733	0.2022
Brugia malayi	ecdysteroid receptor	0.001	0.0038	0.0014
Mycobacterium tuberculosis	Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase)	0.0152	0.1605	1
Echinococcus multilocularis	dnaJ subfamily B	0.0396	0.4282	0.5
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0136	0.0151
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0038	0.0015
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0096	0.0983	0.0859
Trypanosoma brucei	tyrosyl/methionyl-tRNA synthetase, putative	0.0139	0.1455	0.9018
Echinococcus granulosus	dna polymerase eta	0.0019	0.0136	0.0152
Entamoeba histolytica	hypothetical protein	0.0035	0.0314	0.018
Loa Loa (eye worm)	hypothetical protein	0.001	0.0038	0.0015
Trichomonas vaginalis	methionine-tRNA synthetase, putative	0.0152	0.1605	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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 682288