TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 407.462 | Formula: C23H25N3O4
H donors: 1 H acceptors: 2 LogP: 3.84 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN(c1ccc2c(c1)oc(=Nc1ccc(cc1)OC)c(c2)C(=O)NC(=O)C)CC
InChi: 1S/C23H25N3O4/c1-5-26(6-2)18-10-7-16-13-20(22(28)24-15(3)27)23(30-21(16)14-18)25-17-8-11-19(29-4)12-9-17/h7-14H,5-6H2,1-4H3,(H,24,27,28)/b25-23-
InChiKey: VALXIXZFLMUUSY-BZZOAKBMSA-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)	beta-LACTamase domain containing family member	0.0037	0.0601	0.0828
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0601	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0601	0.0828
Brugia malayi	metabotropic glutamate receptor type 2	0.005	0.1016	0.1398
Loa Loa (eye worm)	RNA binding protein	0.0258	0.7264	1
Echinococcus granulosus	GPCR family 2	0.0032	0.0454	0.0625
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.2529	0.3482
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.7264	1
Schistosoma mansoni	P2X receptor subunit	0.0066	0.1471	0.2025
Brugia malayi	RNA binding protein	0.0258	0.7264	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0454	0.0625
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0087	0.211	0.2905
Schistosoma mansoni	hypothetical protein	0.0032	0.0454	0.0625
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0027	0.0294	0.0404
Leishmania major	hypothetical protein, conserved	0.0037	0.0601	0.5
Loa Loa (eye worm)	glutamate receptor	0.0104	0.2617	0.3603
Echinococcus granulosus	p2X purinoceptor 4	0.0066	0.1471	0.2025
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0601	0.5
Brugia malayi	beta-lactamase	0.0037	0.0601	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0454	0.0625
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0454	0.0625
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0601	0.0828
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0601	0.0828
Echinococcus granulosus	p2X purinoceptor 4	0.0066	0.1471	0.2025
Echinococcus multilocularis	geminin	0.0181	0.4939	0.6799
Onchocerca volvulus		0.0037	0.0601	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.1569	0.216
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0601	0.0828
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0348	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0601	0.5
Brugia malayi	Receptor family ligand binding region containing protein	0.0027	0.0294	0.0404
Schistosoma mansoni	hypothetical protein	0.0032	0.0454	0.0625
Schistosoma mansoni	metabotropic glutamate receptor	0.0087	0.211	0.2905
Schistosoma mansoni	P2X receptor subunit	0.0066	0.1471	0.2025
Echinococcus granulosus	p2X purinoceptor 4	0.0066	0.1471	0.2025
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0601	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0601	0.0828
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0454	0.0625
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0027	0.0294	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3339	0.4596
Trichomonas vaginalis	esterase, putative	0.0037	0.0601	0.5
Schistosoma mansoni	hypothetical protein	0.0069	0.1569	0.216
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0294	0.0404
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.2529	0.3482
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0454	0.0625
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0601	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2529	0.3482
Schistosoma mansoni	hypothetical protein	0.0181	0.4939	0.6799
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0454	0.0625
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0235	0.6574	0.6354
Toxoplasma gondii	ABC1 family protein	0.0037	0.0601	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0454	0.0625
Echinococcus multilocularis	p2X purinoceptor 4	0.0066	0.1471	0.2025
Schistosoma mansoni	hypothetical protein	0.0032	0.0454	0.0625
Brugia malayi	beta-lactamase family protein	0.0037	0.0601	0.0828
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.7264	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0454	0.0625
Schistosoma mansoni	P2X receptor subunit	0.0066	0.1471	0.2025
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0454	0.0625
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0601	0.0828
Schistosoma mansoni	metabotropic glutamate receptor	0.005	0.1016	0.1398
Brugia malayi	RNA recognition motif domain containing protein	0.0258	0.7264	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0601	0.0828
Echinococcus granulosus	tar DNA binding protein	0.0258	0.7264	1
Brugia malayi	TAR-binding protein	0.0258	0.7264	1
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0601	0.5
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0127	0.3339	0.4596
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.7264	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0104	0.2617	0.3603
Brugia malayi	MH2 domain containing protein	0.0122	0.3168	0.4361
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.3168	0.4361
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0601	0.0828
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0601	0.0828
Echinococcus multilocularis	tar DNA binding protein	0.0258	0.7264	1
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.7264	1
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0601	0.5
Brugia malayi	beta-lactamase family protein	0.0037	0.0601	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0601	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1569	0.216
Onchocerca volvulus		0.0037	0.0601	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0454	0.0625
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0601	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0258	0.7264	1
Echinococcus granulosus	geminin	0.0181	0.4939	0.6799
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0601	0.5
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0127	0.3339	0.4596
Echinococcus multilocularis	p2X purinoceptor 4	0.0066	0.1471	0.2025
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.2529	0.3482
Schistosoma mansoni	P2X receptor subunit	0.0066	0.1471	0.2025
Loa Loa (eye worm)	glutamate receptor	0.0041	0.0722	0.0994
Onchocerca volvulus		0.0037	0.0601	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0601	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0601	0.0828
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0601	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0601	0.5
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0118	0.3045	0.4192
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.3168	0.4361
Echinococcus multilocularis	p2X purinoceptor 4	0.0066	0.1471	0.2025
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0094	0.2323	0.3198
Loa Loa (eye worm)	TAR-binding protein	0.0258	0.7264	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0087	0.211	0.2905
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.7264	1
Schistosoma mansoni	hypothetical protein	0.0181	0.4939	0.6799

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 911555