TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 256.26 | Formula: C13H12N4O2
H donors: 3 H acceptors: 2 LogP: 1.47 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1[nH]c(=O)c2c(c1)[nH]nc2N
InChi: 1S/C13H12N4O2/c1-19-8-4-2-7(3-5-8)9-6-10-11(13(18)15-9)12(14)17-16-10/h2-6H,1H3,(H,15,18)(H3,14,16,17)
InChiKey: BARUTPKRZGRWAT-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
Echinococcus granulosus	tar DNA binding protein	0.0069	0.1846	0.5514
Echinococcus multilocularis	chromobox protein 1	0.0076	0.2075	0.6198
Leishmania major	hypothetical protein, conserved	0.0036	0.0775	0.4421
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0457	0.5902
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0775	0.2266
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0684	0.2001
Schistosoma mansoni	blooms syndrome DNA helicase	0.0018	0.0194	0.0579
Echinococcus multilocularis	chromobox protein 1	0.0076	0.2075	0.6198
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0985	0.2941
Echinococcus multilocularis	glycogen phosphorylase	0.0115	0.3347	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.1846	0.54
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.1752	0.2505
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.2075	0.2075
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0066	0.1752	0.5235
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0775	0.2266
Plasmodium falciparum	phd finger protein, putative	0.0032	0.0632	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0457	0.5902
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.0632	0.3607
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0985	0.0985
Loa Loa (eye worm)	RNA binding protein	0.0069	0.1846	0.54
Echinococcus multilocularis	glycogen phosphorylase	0.0115	0.3347	1
Brugia malayi	beta-lactamase	0.0036	0.0775	0.2314
Schistosoma mansoni	hypothetical protein	0.0069	0.1857	0.5546
Schistosoma mansoni	hypothetical protein	0.0076	0.2082	0.6219
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.2082	0.6219
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0985	0.288
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0775	0.0775
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.1752	0.5235
Trichomonas vaginalis	esterase, putative	0.0036	0.0775	0.0775
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.1846	0.5514
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0851	0.254
Toxoplasma gondii	aldehyde dehydrogenase	0.0066	0.1752	1
Entamoeba histolytica	hypothetical protein	0.0076	0.2082	0.2082
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0851	0.254
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0632	0.8158
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.005	0.1217	0.0695
Schistosoma mansoni	chromobox protein	0.0076	0.2075	0.6198
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0775	0.0775
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0775	0.2314
Toxoplasma gondii	ABC1 family protein	0.0036	0.0775	0.4421
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.0262	0.4137
Schistosoma mansoni	jumonji domain containing protein	0.0082	0.2295	0.6856
Brugia malayi	beta-lactamase family protein	0.0036	0.0775	0.2314
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0066	0.1752	0.1537
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.2904	0.8675
Leishmania major	hypothetical protein, conserved	0.0026	0.0457	0.261
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0632	0.1849
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2904	0.8495
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0579	0.0579
Entamoeba histolytica	hypothetical protein	0.0076	0.2082	0.2082
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1846	0.5514
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0775	0.2314
Entamoeba histolytica	glycogen phosphorylase, putative	0.005	0.1217	0.1217
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.109	0.3256
Brugia malayi	PHD-finger family protein	0.0032	0.0632	0.1888
Schistosoma mansoni	hypothetical protein	0.0032	0.0632	0.1888
Echinococcus multilocularis	jumonji domain containing protein	0.0044	0.1039	0.3102
Schistosoma mansoni	hypothetical protein	0.0032	0.0641	0.1916
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0115	0.3347	0.3347
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0775	0.2314
Brugia malayi	hypothetical protein	0.0076	0.2082	0.6219
Brugia malayi	chromobox protein homolog 3	0.0042	0.0985	0.2941
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0775	0.0775
Brugia malayi	TAR-binding protein	0.0069	0.1846	0.5514
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0015	0.0102	0.058
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.0108	0.139
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0775	0.2314
Brugia malayi	Heterochromatin protein 1	0.0076	0.2075	0.6198
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.2904	0.8495
Schistosoma mansoni	hypothetical protein	0.0032	0.0641	0.1916
Brugia malayi	jmjC domain containing protein	0.0038	0.0851	0.254
Entamoeba histolytica	hypothetical protein	0.0076	0.2082	0.2082
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0775	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0641	0.1916
Brugia malayi	hypothetical protein	0.0026	0.0457	0.1366
Loa Loa (eye worm)	glycogen phosphorylase	0.0115	0.3347	0.9793
Onchocerca volvulus		0.0036	0.0775	0.2314
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0155	0.4677	0.6134
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0032	0.0632	0.1888
Loa Loa (eye worm)	hypothetical protein	0.0117	0.3418	1
Onchocerca volvulus	Alhambra homolog	0.0032	0.0632	0.1888
Loa Loa (eye worm)	jmjC domain-containing protein	0.0065	0.1737	0.5082
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.109	0.109
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.7137	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0641	0.1916
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0155	0.4677	1
Brugia malayi	jmjC domain containing protein	0.0104	0.2994	0.8943
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0115	0.3347	1
Brugia malayi	Bloom's syndrome protein homolog	0.0023	0.0354	0.1057
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0457	0.7234
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0775	0.2314
Echinococcus granulosus	chromobox protein 1	0.0076	0.2075	0.6198
Brugia malayi	RNA binding protein	0.0069	0.1846	0.5514
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0457	0.5902
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0851	0.2488
Schistosoma mansoni	glycogen phosphorylase	0.005	0.1217	0.3635
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.109	0.109
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0066	0.1752	0.5235
Onchocerca volvulus		0.0036	0.0775	0.2314
Loa Loa (eye worm)	heterochromatin protein 1	0.0076	0.2075	0.6069
Entamoeba histolytica	hypothetical protein	0.0076	0.2082	0.2082
Brugia malayi	Bromodomain containing protein	0.0032	0.0632	0.1888
Echinococcus multilocularis	peregrin	0.0032	0.0632	0.1888
Echinococcus granulosus	Glycosyl transferase family 35	0.0115	0.3347	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1846	0.5514
Onchocerca volvulus		0.0036	0.0775	0.2314
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0104	0.2994	0.8943
Echinococcus granulosus	peregrin	0.0032	0.0632	0.1888
Giardia lamblia	Glycogen phosphorylase	0.0115	0.3347	0.2899
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0641	0.1916
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0775	0.0775
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0775	0.2266
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0104	0.2994	0.8943
Schistosoma mansoni	glycogen phosphorylase	0.0115	0.3347	1
Echinococcus granulosus	jumonji domain containing protein	0.0044	0.1039	0.3102
Echinococcus granulosus	GPCR family 2	0.0032	0.0641	0.1916
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1846	0.5514
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0775	0.2266
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.2075	0.2075
Schistosoma mansoni	glycogen phosphorylase	0.0115	0.3347	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0641	0.1876
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0641	0.1876
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0775	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.1752	0.5235
Onchocerca volvulus		0.0033	0.0684	0.2044
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.005	0.1217	0.1133
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0775	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0775	0.2266
Loa Loa (eye worm)	RecQ helicase	0.0023	0.0354	0.1035
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.1752	0.2505
Echinococcus granulosus	bloom syndrome protein	0.0023	0.0354	0.1057
Brugia malayi	hypothetical protein	0.0017	0.0151	0.0452
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0985	0.0985
Echinococcus granulosus	glycogen phosphorylase	0.0115	0.3347	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0457	0.5902
Entamoeba histolytica	glycogen phosphorylase, putative	0.005	0.1217	0.1217
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0115	0.3347	0.3347
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.2082	0.6219
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.0632	0.3607
Trichomonas vaginalis	DNA helicase recq, putative	0.0023	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0457	0.1338
Brugia malayi	beta-lactamase family protein	0.0036	0.0775	0.2314
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0579	0.0579
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.1846	0.54
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0775	0.0775
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1374	0.4018
Entamoeba histolytica	glycogen phosphorylase, putative	0.0115	0.3347	0.3347
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.2904	0.8675
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0032	0.0632	0.1888
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0851	0.254
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0066	0.1752	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.2082	0.6219
Entamoeba histolytica	glycogenphosphorylase, putative	0.005	0.1217	0.1217
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1846	0.5514
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0457	0.7234
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0775	0.2266
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.1846	0.5514
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.1752	0.2505
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0775	0.2266
Echinococcus granulosus	PHD finger protein rhinoceros	0.0032	0.0632	0.1888
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0641	0.1916
Echinococcus granulosus	chromobox protein 1	0.0076	0.2075	0.6198
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0115	0.3347	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1857	0.5431
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0641	0.1916
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0457	0.2609
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0775	0.2266
Echinococcus multilocularis	bloom syndrome protein	0.0023	0.0354	0.1057
Echinococcus granulosus	glycogen phosphorylase	0.0115	0.3347	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0851	0.254
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0641	0.1916
Entamoeba histolytica	glycogen phosphorylase, putative	0.0115	0.3347	0.3347
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0155	0.4677	1
Loa Loa (eye worm)	PHD-finger family protein	0.0032	0.0632	0.1849
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0641	0.1916
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0641	0.1916
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1846	0.5514
Brugia malayi	carbohydrate phosphorylase	0.0115	0.3347	1
Trichomonas vaginalis	DNA helicase recq1, putative	0.0023	0.0354	0.0354
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0775	1
Chlamydia trachomatis	glycogen phosphorylase	0.0115	0.3347	0.5
Schistosoma mansoni	chromobox protein	0.0076	0.2075	0.6198
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.1857	0.5546
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0641	0.1916

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= -4 %	Inhibition of MET at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 0 %	Inhibition of p38alpha at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 6 %	Inhibition of INSR at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 7 %	Inhibition of PKCz at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 7 %	Inhibition of RSK1 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 7 %	Inhibition of PRAK1 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 11 %	Inhibition of AKT2 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 12 %	Inhibition of ERK2 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 13 %	Inhibition of ERK1 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 14 %	Inhibition of CHK1 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 21 %	Inhibition of AKT1 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 28 %	Inhibition of PKD2 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 43 %	Inhibition of CHK2 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 46 %	Inhibition of CK1d at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 49 %	Inhibition of AurA at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 50 %	Inhibition of FYN at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 54 %	Inhibition of LCK at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 55 %	Inhibition of ABL at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 56 %	Inhibition of LYN at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 59 %	Inhibition of MAPKAPK2 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 59 %	Inhibition of SRC at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 62 %	Inhibition of MSK1 at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449
Inhibition (binding)	= 78 %	Inhibition of GSK3B at 30 uM by microfluidic mobility shift assay	ChEMBL.	21536449

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: CHEMBL1813610

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 1079031