TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 193.206 | Formula: C8H11N5O
H donors: 1 H acceptors: 4 LogP: 0.62 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1nc(O)c2c(n1)n(C)nc2)C
InChi: 1S/C8H11N5O/c1-12(2)8-10-6-5(7(14)11-8)4-9-13(6)3/h4H,1-3H3,(H,10,11,14)
InChiKey: IVYJBVYUUPDDMF-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references

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	guanine nucleotide binding protein G(s) subunit	0.0045	0.1505	0.2128
Echinococcus granulosus	geminin	0.0166	0.6992	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0846	0.0302
Echinococcus multilocularis	musashi	0.0027	0.0655	0.0907
Echinococcus multilocularis	lamin dm0	0.0027	0.0655	0.0907
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0655	0.0657
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1505	0.1342
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.39	0.4418
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1505	0.1342
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0764	0.0173
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.2657	0.378
Brugia malayi	Pre-SET motif family protein	0.0029	0.0764	0.0785
Onchocerca volvulus		0.0029	0.0764	0.0117
Entamoeba histolytica	hypothetical protein	0.0071	0.2657	0.5
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0846	0.1182
Schistosoma mansoni	hypothetical protein	0.0166	0.6992	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0846	0.1182
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0655	0.0751
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1505	0.2128
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1505	0.1342
Echinococcus multilocularis	geminin	0.0166	0.6992	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0846	0.0879
Brugia malayi	intermediate filament protein	0.0027	0.0655	0.0657
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.2657	0.3159
Brugia malayi	Pre-SET motif family protein	0.0204	0.8717	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1505	0.2128
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0846	0.1182
Schistosoma mansoni	hypothetical protein	0.0031	0.0846	0.0302
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0846	0.1182
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0632	0.0725
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1505	0.2128
Entamoeba histolytica	hypothetical protein	0.0071	0.2657	0.5
Schistosoma mansoni	hypothetical protein	0.0031	0.0846	0.0302
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0846	0.1182
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0764	0.0877
Echinococcus granulosus	lamin dm0	0.0027	0.0655	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0067	0.2486	0.2852
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0764	0.0173
Echinococcus granulosus	GPCR family 2	0.0031	0.0846	0.1182
Echinococcus multilocularis	lamin	0.0027	0.0655	0.0907
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0764	0.1065
Schistosoma mansoni	hypothetical protein	0.0166	0.6992	1
Trichomonas vaginalis	set domain proteins, putative	0.0232	1	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0764	0.0173
Echinococcus granulosus	intermediate filament protein	0.0027	0.0655	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0655	0.0751
Entamoeba histolytica	hypothetical protein	0.0071	0.2657	0.5
Plasmodium vivax	SET domain protein, putative	0.0029	0.0764	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0846	0.0971
Schistosoma mansoni	hypothetical protein	0.0067	0.2486	0.289
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.2657	0.378
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1505	0.1643
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0715	0.0994
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0764	0.0173
Schistosoma mansoni	hypothetical protein	0.0071	0.2657	0.3159
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0655	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0098	0.39	0.4474
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0846	0.0971
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0087	0.01
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0764	0.1065
Echinococcus granulosus	lamin	0.0027	0.0655	0.0907
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.39	0.4474
Brugia malayi	hypothetical protein	0.0071	0.2657	0.2977
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.8717	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.2486	0.278
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1505	0.1727
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0026
Schistosoma mansoni	hypothetical protein	0.0031	0.0846	0.0302
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0764	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.39	0.4418
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0846	0.0879
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0764	0.1065
Entamoeba histolytica	hypothetical protein	0.0071	0.2657	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.9811 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

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: CHEMBL1863782

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 1060524