TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.335 | Formula: C16H14N8O2
H donors: 4 H acceptors: 6 LogP: -0.1 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(\c1ccc(cn1)c1cncc(n1)c1ccc(nc1)/C(=N/O)/N)/N
InChi: 1S/C16H14N8O2/c17-15(23-25)11-3-1-9(5-20-11)13-7-19-8-14(22-13)10-2-4-12(21-6-10)16(18)24-26/h1-8,25-26H,(H2,17,23)(H2,18,24)
InChiKey: JTNRPLUWQFFQKU-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
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase type vIII, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0032	0	0.5
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Echinococcus granulosus	single minded 2	0.0032	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0032	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0276	0.0849
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Echinococcus granulosus	voltage gated potassium channel	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylyl cyclase type V, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase beta 2 subunit, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase type, putative	0.0032	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Onchocerca volvulus		0.0317	0.3249	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0032	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Trichomonas vaginalis	intestinal guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0032	0	0.5
Trypanosoma brucei	STE group serine/threonine-protein kinase, putative	0.0034	0.0025	0.5
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase beta 1 subunit, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	hypothetical protein	0.0032	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Schistosoma mansoni	hypothetical protein	0.0038	0.0074	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Mycobacterium leprae	Possible transporter protein	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase type, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0074	0.0229
Loa Loa (eye worm)	CAMK/CAMKL/PASK protein kinase	0.0317	0.3249	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0276	1
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase type III, putative	0.0032	0	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0074	0.2694
Trichomonas vaginalis	adenylate cyclase type III, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0276	0.0849
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0032	0	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0276	1
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase type VI, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0032	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0032	0	0.5
Trichomonas vaginalis	adenylate cyclase type, putative	0.0032	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as cured animal at 25 mg/kg, ip administered on day 3 post infection for 4 days measured up to 60 days	ChEMBL.	24012380
Activity (functional)		Antitrypanosomal activity against Trypanosoma brucei brucei GVR35 infected in NMRI mouse assessed as cured animal at 100 mg/kg, po administered on day 21 post infection for 5 days measured up to 180 days	ChEMBL.	24012380
IC50 (functional)	= 785 nM	Antiplasmodial activity against Plasmodium falciparum K1 assessed as [3H]-hypoxanthine incorporation after 48 hrs by liquid scintillation counting analysis	ChEMBL.	24012380
IC50 (functional)	= 95400 nM	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assessed as parasite growth inhibition after 70 hrs by Alamar blue assay	ChEMBL.	24012380
MSD (functional)	= 95.2 day	Antitrypanosomal activity against Trypanosoma brucei brucei GVR35 infected in NMRI mouse assessed as mouse survival at 100 mg/kg, po administered on day 21 post infection for 5 days measured up to 180 days	ChEMBL.	24012380
Survival (functional)	> 33.75 day	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as mouse survival at 10 mg/kg, ip administered on day 3 post infection for 4 days measured up to 60 days	ChEMBL.	24012380
Survival (functional)	> 60 day	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as mouse survival at 25 mg/kg, ip administered on day 3 post infection for 4 days measured up to 60 days	ChEMBL.	24012380
T1/2 (ADMET)	= 51 min	Half life in Swiss Webster mouse liver S9 fraction by UV-HPLC analysis	ChEMBL.	24012380

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum		24012380

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: CHEMBL2442701

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1792510