TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 264.282 | Formula: C15H12N4O
H donors: 2 H acceptors: 3 LogP: 1.86 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1)Nc1[nH]cc(n1)c1ccccn1
InChi: 1S/C15H12N4O/c20-14(11-6-2-1-3-7-11)19-15-17-10-13(18-15)12-8-4-5-9-16-12/h1-10H,(H2,17,18,19,20)
InChiKey: ABZZQKBWOPVBLJ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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)	hypothetical protein	0.0111	0.2561	0.5347
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0447	0.1747
Onchocerca volvulus		0.0192	0.4789	1
Trichomonas vaginalis	CMGC family protein kinase	0.0076	0.1574	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0447	0.2828
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0254	0.0531
Trichomonas vaginalis	CMGC family protein kinase	0.0076	0.1574	1
Trichomonas vaginalis	CMGC family protein kinase	0.0076	0.1574	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0447	0.0934
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0076	0.1574	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0076	0.1574	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1313	0.8298
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1313	0.8298
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.2561	1
Echinococcus multilocularis	lamin dm0	0.0028	0.0254	0.0254
Brugia malayi	TAR-binding protein	0.0066	0.1313	0.5128
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0076	0.1574	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0254	0.0531
Echinococcus granulosus	GPCR family 2	0.0035	0.0447	0.0447
Echinococcus granulosus	intermediate filament protein	0.0028	0.0254	0.0254
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1313	0.8298
Leishmania major	casein kinase II, putative	0.0076	0.1574	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1313	0.8298
Loa Loa (eye worm)	CAMK/CAMKL/PASK protein kinase	0.0192	0.4789	1
Brugia malayi	RNA binding protein	0.0066	0.1313	0.5128
Giardia lamblia	Kinase, CMGC CK2	0.0076	0.1574	0.5
Schistosoma mansoni	lamin	0.0028	0.0254	0.1607
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0447	0.0447
Schistosoma mansoni	hypothetical protein	0.0076	0.1583	1
Trichomonas vaginalis	CMGC family protein kinase	0.0076	0.1574	1
Trichomonas vaginalis	CMGC family protein kinase	0.0076	0.1574	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.2561	0.5347
Trypanosoma cruzi	casein kinase II, putative	0.0076	0.1574	0.5
Entamoeba histolytica	casein kinase, putative	0.0076	0.1574	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0447	0.0934
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0447	0.0447
Loa Loa (eye worm)	RNA binding protein	0.0066	0.1313	0.2742
Onchocerca volvulus		0.0055	0.1011	0.1668
Schistosoma mansoni	lamin	0.0028	0.0254	0.1607
Schistosoma mansoni	hypothetical protein	0.0035	0.0447	0.2828
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.2561	1
Echinococcus multilocularis	musashi	0.0028	0.0254	0.0254
Echinococcus granulosus	casein kinase ii subunit alpha	0.0076	0.1574	0.1574
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1313	0.8298
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0447	0.0447
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0254	0.1607
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0447	0.0447
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0254	0.0993
Entamoeba histolytica	protein kinase domain containing protein	0.0076	0.1574	0.5
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1011	0.211
Schistosoma mansoni	protein kinase	0.0076	0.1574	0.9944
Echinococcus granulosus	lamin dm0	0.0028	0.0254	0.0254
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.1011	0.6387
Trypanosoma brucei	Casein kinase II	0.0076	0.1574	1
Echinococcus multilocularis	tumor protein p63	0.0379	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.1313	0.2742
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0447	0.1747
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1583	0.3304
Trichomonas vaginalis	CMGC family protein kinase	0.0076	0.1574	1
Mycobacterium leprae	Possible transporter protein	0.0019	0	0.5
Brugia malayi	Casein kinase II, alpha chain	0.0076	0.1574	0.6145
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.1313	0.2742
Schistosoma mansoni	hypothetical protein	0.0035	0.0447	0.2828
Echinococcus multilocularis	lamin	0.0028	0.0254	0.0254
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.1313	0.1313
Toxoplasma gondii	CMGC kinase, CK2 family	0.0076	0.1574	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.024	0.0501
Echinococcus granulosus	tar DNA binding protein	0.0066	0.1313	0.1313
Echinococcus granulosus	lamin	0.0028	0.0254	0.0254
Schistosoma mansoni	hypothetical protein	0.0035	0.0447	0.2828
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0254	0.0531
Brugia malayi	intermediate filament protein	0.0028	0.0254	0.0993
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0076	0.1574	0.1574
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.1583	0.618
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0076	0.1574	0.3286
Plasmodium vivax	unspecified product	0.0076	0.1574	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.1313	0.5128
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0447	0.0447

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC99 (functional)	= 3.13 uM	Antitubercular activity against Mycobacterium tuberculosis H37Rv in GAST media with glycerol and alanine after 7 to 14 days by broth microdilution method	ChEMBL.	24075144
MIC99 (functional)	= 25 uM	Antitubercular activity against Mycobacterium tuberculosis H37Rv in Middlebrook 7H9 broth with glucose after 7 to 14 days by broth microdilution method	ChEMBL.	24075144

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: CHEMBL2441175

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 1789827