TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 384.429 | Formula: C20H24N4O4
H donors: 1 H acceptors: 4 LogP: 1.15 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(COC(=C1C(=Nc2c(C1c1cccnc1)c(=O)n(c(=O)n2C)C)C)O)C
InChi: 1S/C20H24N4O4/c1-11(2)10-28-19(26)14-12(3)22-17-16(15(14)13-7-6-8-21-9-13)18(25)24(5)20(27)23(17)4/h6-9,11,15,26H,10H2,1-5H3
InChiKey: NXHKMFFXWVGYTO-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
Trypanosoma brucei	C-8 sterol isomerase, putative	0.074	1	1
Leishmania major	C-8 sterol isomerase-like protein	0.074	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0201	0.2915
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0201	0.018
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0201	0.008
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.069	0.0739
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.0329	0.0209
Echinococcus multilocularis	muscleblind protein 1	0.0144	0.1861	0.1994
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.0329	0.0209
Echinococcus granulosus	pyruvate kinase	0.0017	0.0114	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1861	0.176
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.008	0.0986	0.1057
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.0329	1
Giardia lamblia	Pyruvate kinase	0.0032	0.0329	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0329	0.0209
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.069	1
Chlamydia trachomatis	pyruvate kinase	0.0032	0.0329	1
Echinococcus granulosus	muscleblind protein	0.0144	0.1861	0.1994
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0195	0.0074
Echinococcus multilocularis	muscleblind protein	0.0144	0.1861	0.1994
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.0329	0.0209
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.069	1
Leishmania major	pyruvate kinase	0.0032	0.0329	0.0134
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0201	0.2915
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0023	0.0197	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0122	0.1768
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0023	0.0197	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0201	0.008
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0201	0.0004
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.069	0.0739
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0114	0.0122
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0201	0.2915
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0201	0.0004
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.069	1
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0023	0.0197	0.1436
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0197	0.3857
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0691	0.933	1
Onchocerca volvulus		0.008	0.0986	0.086
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0201	0.6121
Mycobacterium leprae	conserved hypothetical protein	0.0023	0.0197	0.5991
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.074	1	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0032	0.0329	0.4763
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0201	0.2915
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0201	0.2915
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0109	0.1583
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0201	0.2915
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0122	0.1768
Loa Loa (eye worm)	hypothetical protein	0.074	1	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.0329	0.014
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1861	0.176
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0201	0.6121
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0201	0.0004
Schistosoma mansoni	vesicular acetylcholine transporter	0.0691	0.933	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.069	1
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0691	0.933	0.9329
Plasmodium vivax	pyruvate kinase, putative	0.0032	0.0329	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.069	1
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0023	0.0197	0.2853
Schistosoma mansoni	pyruvate kinase	0.0032	0.0329	0.0352
Echinococcus granulosus	pyruvate kinase	0.0017	0.0114	0.0122
Leishmania major	pyruvate kinase	0.0032	0.0329	0.0134
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0691	0.933	0.9322
Entamoeba histolytica	hypothetical protein	0.0023	0.0197	0.2684
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.069	0.0503
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.069	0.0739
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0197	0.3857
Echinococcus granulosus	vesicular acetylcholine transporter	0.0691	0.933	1
Echinococcus multilocularis	pyruvate kinase	0.0025	0.0236	0.0253
Mycobacterium ulcerans	pyruvate kinase	0.0032	0.0329	0.4763
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0201	1
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0122	0.0365
Echinococcus granulosus	pyruvate kinase	0.0032	0.0329	0.0352
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0201	0.2915
Echinococcus granulosus	pyruvate kinase	0.0032	0.0329	0.0352
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0109	0.1583
Schistosoma mansoni	pyruvate kinase	0.0032	0.0329	0.0352
Schistosoma mansoni	pyruvate kinase	0.0017	0.0114	0.0122
Trypanosoma brucei	pyruvate kinase 1	0.0032	0.0329	0.0134
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.0329	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0201	0.2915
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0201	0.018
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0201	0.2915
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0032	0.0329	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0378	0.5056	0.4995
Echinococcus multilocularis	pyruvate kinase	0.0032	0.0329	0.0352
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0201	0.018
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0023	0.0197	0.2853
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.0329	0.014
Echinococcus granulosus	pyruvate kinase	0.0017	0.0114	0.0122
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.0329	0.014
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0691	0.933	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0114	0.0122
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0201	1
Loa Loa (eye worm)	pyruvate kinase-PB	0.0022	0.0195	0.0074
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0109	0.1583
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.008	0.0986	0.0967
Trypanosoma brucei	pyruvate kinase 1, putative	0.0032	0.0329	0.0134
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0201	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0114	0.0122
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0032	0.0329	0.0308
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0023	0.0197	0.2853
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0201	0.008
Plasmodium falciparum	pyruvate kinase	0.0032	0.0329	1
Echinococcus granulosus	L aminoadipate semialdehyde	0.008	0.0986	0.1057
Loa Loa (eye worm)	hypothetical protein	0.008	0.0986	0.0875
Toxoplasma gondii	pyruvate kinase PyK1	0.0032	0.0329	0.3724
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0201	0.2915
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0122	0.0365
Echinococcus multilocularis	pyruvate kinase	0.0032	0.0329	0.0352
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.069	0.0739
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0109	0.1583
Brugia malayi	Muscleblind-like protein	0.0144	0.1861	0.1843
Echinococcus multilocularis	L aminoadipate semialdehyde	0.008	0.0986	0.1057
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0032	0.0329	1
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0.0197	1
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0.0197	0.3624

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 891653