TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 202.213 | Formula: C10H10N4O
H donors: 2 H acceptors: 3 LogP: 0.88 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Nc2c(C1(C)C)cc1c(c2)[nH]nn1
InChi: 1S/C10H10N4O/c1-10(2)5-3-7-8(13-14-12-7)4-6(5)11-9(10)15/h3-4H,1-2H3,(H,11,15)(H,12,13,14)
InChiKey: UQCKALXQFNIEBP-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
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3273	0.4466
Plasmodium falciparum	lysophospholipase, putative	0.0295	0.2857	1
Echinococcus multilocularis	expressed protein	0.0856	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0062	0.0042
Brugia malayi	Amidase family protein	0.0077	0.0089	0.0123
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0077	0.0089	0.0028
Echinococcus multilocularis	serine threonine protein kinase	0.0265	0.2476	0.2429
Brugia malayi	putative amidase	0.0077	0.0089	0.0123
Loa Loa (eye worm)	amidase	0.0077	0.0089	0.0039
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Echinococcus granulosus	Protein kinase C brain isozyme	0.0318	0.3151	0.3109
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0077	0.0089	0.5
Brugia malayi	Amidase family protein	0.0077	0.0089	0.0123
Leishmania major	monoglyceride lipase, putative	0.0295	0.2857	1
Toxoplasma gondii	AGC kinase	0.0075	0.0062	0.5
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0295	0.2857	1
Echinococcus granulosus	protein kinase c iota type	0.0128	0.0737	0.0679
Entamoeba histolytica	glycogen phosphorylase, putative	0.0106	0.045	0.1389
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0157	0.1103	0.1048
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Brugia malayi	Protein kinase domain containing protein	0.0075	0.0062	0.0085
Brugia malayi	p70 ribosomal S6 kinase beta	0.0075	0.0062	0.0085
Loa Loa (eye worm)	amidase	0.0077	0.0089	0.0039
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0077	0.0089	0.0028
Trichomonas vaginalis	conserved hypothetical protein	0.0295	0.2857	1
Schistosoma mansoni	fatty-acid amide hydrolase	0.0077	0.0089	0.0081
Echinococcus granulosus	jun protein	0.0089	0.0244	0.0184
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0295	0.2857	1
Onchocerca volvulus		0.0104	0.0427	0.1303
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0106	0.045	0.1452
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0106	0.045	0.1452
Brugia malayi	Protein kinase domain containing protein	0.0075	0.0062	0.0085
Echinococcus granulosus	fatty acid amide hydrolase 1	0.064	0.7254	0.7237
Brugia malayi	carbohydrate phosphorylase	0.0106	0.045	0.062
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0191	0.1542	0.2058
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0104	0.0427	0.0588
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0213	0.0211
Onchocerca volvulus		0.0327	0.3273	1
Mycobacterium tuberculosis	Possible lysophospholipase	0.0295	0.2857	0.4691
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0295	0.2857	1
Schistosoma mansoni	serine/threonine kinase	0.0075	0.0062	0.0042
Brugia malayi	Hr1 repeat family protein	0.0075	0.0062	0.0085
Brugia malayi	Protein kinase domain containing protein	0.0075	0.0062	0.0085
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0182	0.1428	0.1375
Onchocerca volvulus		0.0104	0.0427	0.1303
Schistosoma mansoni	atypical protein kinase C	0.0128	0.0737	0.0977
Echinococcus granulosus	Glycosyl transferase family 35	0.0106	0.045	0.0391
Echinococcus granulosus	glycogen phosphorylase	0.0106	0.045	0.0391
Mycobacterium ulcerans	short chain dehydrogenase	0.0541	0.599	1
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Trypanosoma brucei	monoglyceride lipase, putative	0.0295	0.2857	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0295	0.2857	1
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0295	0.2857	1
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3273	0.4466
Loa Loa (eye worm)	hypothetical protein	0.064	0.7254	1
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0077	0.0089	0.0099
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0295	0.2857	1
Brugia malayi	Common central domain of tyrosinase family protein	0.0104	0.0427	0.0588
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0077	0.0089	0.0081
Schistosoma mansoni	tyrosinase precursor	0.0104	0.0427	0.0547
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Echinococcus granulosus	fatty acid amide hydrolase 1	0.064	0.7254	0.7237
Schistosoma mansoni	glycogen phosphorylase	0.0106	0.045	0.058
Loa Loa (eye worm)	tyrosinase 1	0.0104	0.0427	0.0507
Schistosoma mansoni	serine/threonine protein kinase	0.0217	0.1871	0.2548
Echinococcus granulosus	protein kinase c epsilon type	0.0217	0.1871	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0402	0.4228	0.5793
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0106	0.045	0.1375
Echinococcus granulosus	serine:threonine protein kinase N2	0.0083	0.0169	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0615	0.6931	0.9551
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0295	0.2857	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0318	0.3151	0.3109
Mycobacterium ulcerans	hypothetical protein	0.0295	0.2857	0.4691
Echinococcus multilocularis	protein kinase c epsilon type	0.0217	0.1871	0.1821
Echinococcus multilocularis	RNA directed DNA polymerase	0.0182	0.1428	0.1375
Onchocerca volvulus		0.0104	0.0427	0.1303
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0089	0.0244	0.0184
Schistosoma mansoni	tyrosinase precursor	0.0104	0.0427	0.0547
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0295	0.2857	1
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0062	0.0042
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Plasmodium falciparum	lysophospholipase, putative	0.0295	0.2857	1
Echinococcus granulosus	glycogen phosphorylase	0.0106	0.045	0.0391
Echinococcus multilocularis	protein kinase c iota type	0.0128	0.0737	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0427	0.0507
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0077	0.0089	0.0028
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0089	0.0244	0.0184
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0106	0.045	0.0391
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Echinococcus multilocularis	jun protein	0.0089	0.0244	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2103	0.2839
Schistosoma mansoni	amidase	0.064	0.7254	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0104	0.0427	0.0588
Trichomonas vaginalis	conserved hypothetical protein	0.0295	0.2857	1
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Brugia malayi	amidase	0.064	0.7254	1
Plasmodium falciparum	lysophospholipase, putative	0.0295	0.2857	1
Brugia malayi	small heat shock protein	0.0615	0.6931	0.9555
Onchocerca volvulus		0.0104	0.0427	0.1303
Brugia malayi	ShTK domain containing protein	0.0104	0.0427	0.0588
Giardia lamblia	Glycogen phosphorylase	0.0106	0.045	0.5
Trypanosoma cruzi	monoglyceride lipase, putative	0.0295	0.2857	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0427	0.0507
Echinococcus multilocularis	glycogen phosphorylase	0.0106	0.045	0.0391
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0104	0.0427	0.0588
Trypanosoma brucei	monoglyceride lipase, putative	0.0295	0.2857	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0106	0.045	0.1389
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.064	0.7254	0.7237
Schistosoma mansoni	glycogen phosphorylase	0.0106	0.045	0.058
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1428	0.19
Plasmodium vivax	PST-A protein	0.0295	0.2857	1
Chlamydia trachomatis	glycogen phosphorylase	0.0106	0.045	1
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0062	0.0042
Mycobacterium tuberculosis	Probable oxidoreductase	0.0541	0.599	1
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0077	0.0089	0.0028
Loa Loa (eye worm)	ShTK domain-containing protein	0.0104	0.0427	0.0507
Schistosoma mansoni	serine/threonine protein kinase	0.0318	0.3151	0.4319
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0083	0.0169	0.0384
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0077	0.0089	0.5
Plasmodium falciparum	esterase, putative	0.0295	0.2857	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0217	0.1871	0.2516
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0295	0.2857	1
Mycobacterium ulcerans	lysophospholipase	0.0295	0.2857	0.4691
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0104	0.0427	0.0588
Echinococcus multilocularis	glycogen phosphorylase	0.0106	0.045	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3273	0.4466
Brugia malayi	bZIP transcription factor family protein	0.0089	0.0244	0.0337
Loa Loa (eye worm)	hypothetical protein	0.038	0.3949	0.5404
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0062	0.0073
Loa Loa (eye worm)	glycogen phosphorylase	0.0106	0.045	0.054
Echinococcus granulosus	protein kinase C gamma type	0.0265	0.2476	0.2429
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0062	0.0042
Brugia malayi	Protein kinase c protein 2	0.0244	0.2217	0.3056
Loa Loa (eye worm)	ShTK domain-containing protein	0.0104	0.0427	0.0507
Echinococcus granulosus	RNA directed DNA polymerase	0.0182	0.1428	0.1375
Schistosoma mansoni	fatty-acid amide hydrolase	0.064	0.7254	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.064	0.7254	0.7237
Schistosoma mansoni	serine/threonine protein kinase	0.0318	0.3151	0.4319
Brugia malayi	protein kinase C II.	0.0217	0.1871	0.258

Activities

Activity type	Activity value	Assay description	Source	Reference
ED1.5 (functional)	NT 0 mg kg-1	Effective dose required to produce an increase in dP/dt5 by 1500 mmHg/s in cats;NT means not tested.	ChEMBL.	2544724
ED1.5 (functional)	NT 0 mg kg-1	Effective dose required to produce an increase in dP/dt5 by 1500 mmHg/s in dogs;NT means not tested.	ChEMBL.	2544724
ED1.5 (functional)	0.18 mg kg-1	Effective dose required to produce an increase in dP/dt5 by 1500 mmHg/s in rats	ChEMBL.	2544724
Max (functional)	ND 0 mmHg s-1	Maximum increase in dP/dt when administered intravenously in cats.	ChEMBL.	2544724
Max (functional)	ND 0 mmHg s-1	Maximum increase in dP/dt when administered intravenously in dogs; ND means no data.	ChEMBL.	2544724
Max (functional)	2.6 mmHg s-1	Maximum increase in dP/dt when administered intravenously in rats Value in parenthesis denotes dose at which test performed	ChEMBL.	2544724

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: CHEMBL36117

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 48079