TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 464.6 | Formula: C27H36N4O3
H donors: 1 H acceptors: 3 LogP: 4.37 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cn(cc(c1=O)C(=O)NC(C)(C)C)C1CCCCC1)N1CCN(CC1)c1ccccc1
InChi: 1S/C27H36N4O3/c1-27(2,3)28-25(33)22-18-31(21-12-8-5-9-13-21)19-23(24(22)32)26(34)30-16-14-29(15-17-30)20-10-6-4-7-11-20/h4,6-7,10-11,18-19,21H,5,8-9,12-17H2,1-3H3,(H,28,33)
InChiKey: OKNFHUCXCYTQJU-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
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0426	0.3096
Plasmodium vivax	orotidine 5'-phosphate decarboxylase, putative	0.0061	0.2931	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0426	0.3096
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0426	0.0787
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0426	0.0787
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0079	0.4161	1
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.002	0.013	0.0239
Onchocerca volvulus		0.0025	0.0426	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3245	0.2384
Schistosoma mansoni	metabotropic glutamate receptor	0.0039	0.1382	0.0283
Schistosoma mansoni	orotidine 5'-phosphate decarboxylase	0.0073	0.372	0.292
Brugia malayi	orotate phosphoribosyltransferase family protein	0.0073	0.372	0.8908
Entamoeba histolytica	hypothetical protein	0.0035	0.1131	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0426	0.1454
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0426	0.1454
Loa Loa (eye worm)	RNA binding protein	0.0066	0.3245	0.5995
Mycobacterium tuberculosis	Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase)	0.0038	0.1377	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3245	0.2384
Loa Loa (eye worm)	orotate phosphoribosyltransferase	0.0073	0.372	0.6873
Brugia malayi	metabotropic glutamate receptor type 2	0.0039	0.1382	0.3107
Trypanosoma cruzi	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.0073	0.372	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.5413	1
Mycobacterium ulcerans	orotidine 5'-phosphate decarboxylase	0.0061	0.2931	1
Echinococcus granulosus	tar DNA binding protein	0.0066	0.3245	0.2384
Schistosoma mansoni	metabotropic glutamate receptor	0.0066	0.3281	0.2424
Trypanosoma cruzi	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.0073	0.372	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.3245	0.5995
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0426	0.0787
Plasmodium vivax	orotate phosphoribosyltransferase, putative	0.0038	0.1377	0.4697
Leishmania major	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative	0.0073	0.372	1
Echinococcus multilocularis	geminin	0.0164	1	1
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0426	0.1454
Echinococcus multilocularis	uridine 5' monophosphate synthase	0.0073	0.372	0.292
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.002	0.013	0.0239
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0097	0.5413	0.4828
Entamoeba histolytica	hypothetical protein	0.0035	0.1131	1
Loa Loa (eye worm)	glutamate receptor	0.0031	0.0873	0.1612
Entamoeba histolytica	hypothetical protein	0.0035	0.1131	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3245	0.2384
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3245	0.2384
Mycobacterium tuberculosis	Probable orotidine 5'-phosphate decarboxylase PyrF (OMP decarboxylase) (ompdecase)	0.0027	0.0587	0.4263
Loa Loa (eye worm)	hypothetical protein	0.002	0.013	0.0239
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.009	0.4904	0.4254
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3245	0.2384
Echinococcus granulosus	uridine 5' monophosphate synthase	0.0073	0.372	0.292
Brugia malayi	RNA binding protein	0.0066	0.3245	0.7729
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Brugia malayi	hypothetical protein	0.0035	0.1131	0.2484
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0072	0.3651	0.8736
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0426	0.1454
Plasmodium falciparum	orotidine 5'-phosphate decarboxylase	0.0061	0.2931	1
Mycobacterium ulcerans	orotate phosphoribosyltransferase	0.0038	0.1377	0.4697
Toxoplasma gondii	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase	0.0061	0.2931	1
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0066	0.3281	0.2424
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0426	0.1454
Mycobacterium leprae	Probable orotidine 5'-phosphate decarboxylase PyrF (OMP decarboxylase) (OMPDCase) (OMPdecase)	0.0061	0.2931	1
Brugia malayi	TAR-binding protein	0.0066	0.3245	0.7729
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.3245	0.2384
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0426	0.0736
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0426	0.1454
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0426	0.1454
Loa Loa (eye worm)	glutamate receptor	0.0079	0.4161	0.7686
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.3245	0.7729
Entamoeba histolytica	hypothetical protein	0.0035	0.1131	1
Mycobacterium leprae	PROBABLE OROTATE PHOSPHORIBOSYLTRANSFERASE PYRE (OPRT) (OPRTASE)	0.0038	0.1377	0.3795
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0097	0.5413	0.4828
Trypanosoma brucei	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.0073	0.372	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.3245	0.5995
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0	0.5
Plasmodium falciparum	orotate phosphoribosyltransferase	0.0038	0.1377	0.4697
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0426	0.1454
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0426	0.0736
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0426	0.0736
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0066	0.3281	0.2424
Wolbachia endosymbiont of Brugia malayi	orotate phosphoribosyltransferase	0.0038	0.1377	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.

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 808925