TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 431.489 | Formula: C27H21N5O
H donors: 1 H acceptors: 3 LogP: 5.46 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nn(c2c1c(cc(n2)c1ccccc1)C(=O)N/N=C\c1ccccc1)c1ccccc1
InChi: 1S/C27H21N5O/c1-19-25-23(27(33)30-28-18-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)29-26(25)32(31-19)22-15-9-4-10-16-22/h2-18H,1H3,(H,30,33)/b28-18-
InChiKey: WHXUZVUFWBLTLA-VEILYXNESA-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
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0043	0.0539
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0384	0.0431
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0101	0.0801	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0043	0.0539
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0101	0.0801	1
Brugia malayi	steroid hormone receptor	0.0101	0.0801	0.0801
Onchocerca volvulus		0.0028	0.0018	0.0018
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0101	0.0801	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0101	0.0801	0.0801
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0384	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0043	0.0539
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0074	0.0515	0.0515
Brugia malayi	Pre-SET motif family protein	0.0031	0.0043	0.0043
Echinococcus granulosus	FTZ F1 alpha	0.0101	0.0801	1
Loa Loa (eye worm)	hypothetical protein	0.0953	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0101	0.0801	0.0801
Echinococcus multilocularis	ecdysone induced protein 78C	0.0101	0.0801	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0101	0.0801	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0101	0.0801	1
Schistosoma mansoni	lamin	0.0028	0.0018	0.0221
Brugia malayi	nuclear hormone receptor	0.0101	0.0801	0.0801
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0101	0.0801	1
Brugia malayi	Steroid receptor seven-up type 2	0.0101	0.0801	0.0801
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0101	0.0801	0.0801
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0101	0.0801	0.0801
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0101	0.0801	0.0801
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0101	0.0801	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0101	0.0801	0.0801
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0101	0.0801	0.0801
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0043	0.0539
Schistosoma mansoni	nuclear hormone receptor	0.0101	0.0801	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0101	0.0801	0.0801
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0101	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0672	0.6963	0.6963
Echinococcus granulosus	lamin dm0	0.0028	0.0018	0.0221
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0018	0.0221
Echinococcus multilocularis	lamin	0.0028	0.0018	0.0221
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0043	0.0539
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0043	0.0539
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0101	0.0801	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0801	0.0801
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0074	0.0515	0.6428
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.2326	0.5
Schistosoma mansoni	coup transcription factor	0.0101	0.0801	1
Brugia malayi	intermediate filament protein	0.0028	0.0018	0.0018
Echinococcus granulosus	ecdysone induced protein 78C	0.0101	0.0801	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0101	0.0801	0.0801
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0074	0.0515	0.6428
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0018	0.0018
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0101	0.0801	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0101	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0515	0.0515
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0101	0.0801	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0101	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0515	0.0515
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0101	0.0801	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0101	0.0801	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0762	0.7933	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0515	0.0515
Loa Loa (eye worm)	steroid hormone receptor	0.0101	0.0801	0.0801
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0101	0.0801	1
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0672	0.6963	0.6963
Brugia malayi	Nuclear hormone receptor-like 1	0.0101	0.0801	0.0801
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0384	0.5
Onchocerca volvulus		0.0242	0.2326	0.2326
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0384	0.479
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0018	0.0018
Plasmodium vivax	SET domain protein, putative	0.0031	0.0043	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0101	0.0801	0.0801
Toxoplasma gondii	hypothetical protein	0.0672	0.6963	0.8771
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0101	0.0801	0.0801
Onchocerca volvulus	Bile acid receptor homolog	0.0953	1	1
Loa Loa (eye worm)	hypothetical protein	0.0672	0.6963	0.6963
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0043	0.0539
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0074	0.0515	0.6428
Brugia malayi	Pre-SET motif family protein	0.0213	0.2009	0.2009
Brugia malayi	hypothetical protein	0.0074	0.0515	0.0515
Brugia malayi	nuclear receptor RXR	0.0074	0.0515	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0801	0.0801
Entamoeba histolytica	hypothetical protein	0.0035	0.0091	0.5
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0031	0.0388
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0384	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0101	0.0801	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0384	0.479
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0101	0.0801	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0101	0.0801	0.0801
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0101	0.0801	0.0801
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0091	0.1139
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0091	0.1139
Echinococcus multilocularis	FTZ F1 alpha	0.0101	0.0801	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.0018	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0043	0.0043
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0101	0.0801	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0101	0.0801	0.0801
Onchocerca volvulus	Protein ultraspiracle homolog	0.0101	0.0801	0.0801
Brugia malayi	hypothetical protein	0.0074	0.0515	0.0515
Entamoeba histolytica	hypothetical protein	0.0035	0.0091	0.5
Onchocerca volvulus		0.0031	0.0043	0.0043
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0384	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0018	0.0018
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.2009	0.2009
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0101	0.0801	1
Onchocerca volvulus		0.0028	0.0018	0.0018
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0101	0.0801	0.0801
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0074	0.0515	0.6428
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0515	0.0515
Entamoeba histolytica	hypothetical protein	0.0035	0.0091	0.5
Brugia malayi	hypothetical protein	0.0035	0.0091	0.0091
Echinococcus multilocularis	musashi	0.0028	0.0018	0.0221
Brugia malayi	Nuclear hormone receptor-like 1	0.0074	0.0515	0.0515
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0101	0.0801	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0101	0.0801	0.0801
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0101	0.0801	0.0801
Schistosoma mansoni	thyroid hormone receptor	0.0101	0.0801	1
Loa Loa (eye worm)	hypothetical protein	0.0672	0.6963	0.6963
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0384	0.479
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0384	0.479
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0801	0.0801
Brugia malayi	Nuclear hormone receptor-like 1	0.0074	0.0515	0.0515
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0101	0.0801	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0384	0.5
Onchocerca volvulus		0.0101	0.0801	0.0801
Schistosoma mansoni	RAR-like nuclear receptor	0.0101	0.0801	1
Echinococcus multilocularis	lamin dm0	0.0028	0.0018	0.0221
Schistosoma mansoni	lamin	0.0028	0.0018	0.0221
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0018	0.0018
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0101	0.0801	0.0801
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0091	0.1139
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0012	0.0012
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0101	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0515	0.0515
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0101	0.0801	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0101	0.0801	1
Echinococcus granulosus	lamin	0.0028	0.0018	0.0221
Entamoeba histolytica	hypothetical protein	0.0035	0.0091	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0801	0.0801
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0101	0.0801	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0091	0.1139
Brugia malayi	nuclear receptor NHR-88	0.0101	0.0801	0.0801
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0101	0.0801	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 205.3 ug ml-1	Antiparasitic activity against Trypanosoma cruzei Y blood stream trypomastigotes	ChEMBL.	17064907
IC50 (functional)	= 205.3 ug ml-1	Antiparasitic activity against Trypanosoma cruzei Y blood stream trypomastigotes	ChEMBL.	17064907

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 420915