TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.353 | Formula: C19H14N6O3
H donors: 1 H acceptors: 4 LogP: 2.86 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cnn(c1)c1ccccc1)N/N=C/c1[n+]([O-])onc1c1ccccc1
InChi: 1S/C19H14N6O3/c26-19(15-11-21-24(13-15)16-9-5-2-6-10-16)22-20-12-17-18(23-28-25(17)27)14-7-3-1-4-8-14/h1-13H,(H,22,26)/b20-12+
InChiKey: LDRMJRWEHQOVIM-UDWIEESQSA-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	ring and YY1 binding protein	0.0185	0.3331	0.3331
Loa Loa (eye worm)	phosphatidylinositol 3	0.0052	0.0695	0.0695
Loa Loa (eye worm)	hypothetical protein	0.0185	0.3331	0.3331
Trypanosoma cruzi	hypothetical protein, conserved	0.0185	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0427	0.0427
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0481	0.0481
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0213	0.0213
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0052	0.0695	0.2087
Echinococcus multilocularis	zinc finger protein Ran binding	0.0185	0.3331	0.3331
Schistosoma mansoni	RNA binding protein	0.0185	0.3331	0.3331
Plasmodium vivax	hypothetical protein, conserved	0.0519	1	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0185	0.3331	0.3331
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0042	0.0482	0.1447
Leishmania major	hypothetical protein, conserved	0.0185	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0427	0.0427
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0185	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0213	0.0213
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0185	0.3331	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0052	0.0695	0.0695
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0185	0.3331	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0185	0.3331	0.3331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0274	0.0274
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0185	0.3331	1
Echinococcus multilocularis	tumor protein p63	0.0327	0.6175	0.6175
Echinococcus granulosus	tumor protein p63	0.0327	0.6175	0.6175
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0427	0.0427
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0052	0.0695	0.2087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0214	0.0214
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0052	0.0695	0.0695
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0185	0.3331	0.3331
Chlamydia trachomatis	SWIB complex protein	0.0519	1	0.5
Toxoplasma gondii	ran binding protein	0.0185	0.3331	0.3034
Schistosoma mansoni	hypothetical protein	0.0519	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0519	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0052	0.0695	0.2087
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0519	1	1
Schistosoma mansoni	zinc finger protein	0.0185	0.3331	0.3331
Trypanosoma cruzi	hypothetical protein, conserved	0.0185	0.3331	1
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0604	0.0604
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0185	0.3331	0.3331
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0052	0.0695	0.2087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0481	0.0481
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0695	0.0695
Brugia malayi	SWIB/MDM2 domain containing protein	0.0519	1	1
Schistosoma mansoni	fusion	0.0185	0.3331	0.3331
Echinococcus multilocularis	SWI:SNF matrix associated	0.0519	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0274	0.0274
Trypanosoma cruzi	WLM domain containing protein, putative	0.0185	0.3331	1
Loa Loa (eye worm)	hypothetical protein	0.0185	0.3331	0.3331
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0042	0.0482	0.1447
Chlamydia trachomatis	DNA topoisomerase I	0.0519	1	0.5
Echinococcus granulosus	zinc finger protein Ran binding	0.0185	0.3331	0.3331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0481	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0604	0.0604
Brugia malayi	YY1-associated factor 2	0.0185	0.3331	0.3331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0427	0.0427
Leishmania major	hypothetical protein, conserved	0.0185	0.3331	1
Schistosoma mansoni	brg-1 associated factor	0.0519	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0268	0.0268
Echinococcus multilocularis	SWI:SNF matrix associated	0.0519	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0519	1	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0185	0.3331	1
Onchocerca volvulus		0.0185	0.3331	0.2902
Giardia lamblia	GTOR	0.0052	0.0695	0.5
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0185	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0268	0.0268
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0214	0.0214
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0519	1	0.5
Echinococcus granulosus	ring and YY1 binding protein	0.0185	0.3331	0.3331
Trypanosoma cruzi	WLM domain containing protein, putative	0.0185	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0214	0.0214
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0052	0.0695	0.2087
Leishmania major	hypothetical protein, conserved	0.0185	0.3331	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0185	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0351	0.0351
Trypanosoma brucei	hypothetical protein, conserved	0.0185	0.3331	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0185	0.3331	0.2902
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0519	1	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0519	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0052	0.0695	0.0695
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0052	0.0695	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0185	0.3331	0.3331
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0025	0.0144	0.0432
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0052	0.0695	0.5
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0185	0.3331	0.3034
Leishmania major	hypothetical protein, conserved	0.0185	0.3331	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0519	1	1
Onchocerca volvulus		0.0185	0.3331	0.2902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0427	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0185	0.3331	0.3331
Trypanosoma cruzi	target of rapamycin kinase 3	0.0042	0.0482	0.1447
Loa Loa (eye worm)	hypothetical protein	0.0185	0.3331	0.3331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0481	0.0481
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0214	0.0214
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0427	0.0427
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0185	0.3331	0.3331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0328	0.0328
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0185	0.3331	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0052	0.0695	0.2087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0695	0.0695
Loa Loa (eye worm)	brahma associated protein	0.0519	1	1
Brugia malayi	brahma associated protein 60 kDa	0.0519	1	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0022	0.0084	0.0251
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0519	1	1
Schistosoma mansoni	hypothetical protein	0.0519	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0695	0.0695
Schistosoma mansoni	hypothetical protein	0.0519	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0274	0.0274
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0052	0.0695	0.0695
Onchocerca volvulus		0.0185	0.3331	0.2902
Schistosoma mansoni	hypothetical protein	0.0185	0.3331	0.3331
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0185	0.3331	0.3331
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0519	1	1
Loa Loa (eye worm)	hypothetical protein	0.0185	0.3331	0.3331
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0185	0.3331	0.3331
Leishmania major	hypothetical protein, conserved	0.0185	0.3331	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0519	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0481	0.0481
Onchocerca volvulus		0.0185	0.3331	0.2902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0427	0.0427
Schistosoma mansoni	TRABID protein (C64 family)	0.0185	0.3331	0.3331
Trypanosoma brucei	hypothetical protein, conserved	0.0185	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0542	0.0542
Echinococcus granulosus	SWI:SNF matrix associated	0.0519	1	1
Onchocerca volvulus		0.0519	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0213	0.0213

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 400 uM	Cytotoxicity against human HT-29 cells expressing NF-kappaB-hrGFP assessed as highest non-cytotoxic dose for 100% cell survival after 24 hrs by MTT assay	ChEMBL.	22356737
IC50 (functional)	> 150 uM	Trypanosomicidal activity against axenic epimastigote stage of Trypanosoma cruzi Tulahuen 2 assessed as growth inhibition	ChEMBL.	23202852
MIC (functional)	> 66.8 uM	Antimycobacterial activity against multidrug-resistant Mycobacterium tuberculosis clinical isolate assessed as growth inhibition after 5 days by MTT assay	ChEMBL.	23202852

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

ChEMBL: CHEMBL1957428

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1623241