TDR Targets

Basic information

Technical information

TDR Targets ID: 1436620
Name: [[amino-(1,2-oxazol-5-yl)methylidene]amino] N -phenylcarbamate
MW: 246.222 | Formula: C11H10N4O3
H donors: 2 H acceptors: 2 LogP: 1.54 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1)ONC(=N)c1ccno1
InChi: 1S/C11H10N4O3/c12-10(9-6-7-13-17-9)15-18-11(16)14-8-4-2-1-3-5-8/h1-7H,(H2,12,15)(H,14,16)
InChiKey: DAEOIJBSZRAGCG-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

[(amino-isoxazol-5-yl-methylene)amino] N-phenylcarbamate
N-phenylcarbamic acid [[amino-(5-isoxazolyl)methylene]amino] ester
N-phenylcarbamic acid [(amino-isoxazol-5-yl-methylene)amino] ester
MLS000834909
N'-[(anilinocarbonyl)oxy]isoxazole-5-carboximidamide
SMR000461425

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
Trypanosoma brucei	cdc2-related kinase 3	0.0373	0.1384	0.0986
Echinococcus multilocularis	dual specificity	0.0456	0.3259	0.2947
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0373	0.1384	0.0986
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0367	0.1236	0.1236
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0367	0.1236	0.0831
Brugia malayi	intracellular kinase	0.0367	0.1236	0.0831
Trichomonas vaginalis	CMGC family protein kinase	0.0456	0.3259	1
Trichomonas vaginalis	CMGC family protein kinase	0.0456	0.3259	1
Entamoeba histolytica	protein kinase, putative	0.0456	0.3259	0.2947
Trypanosoma cruzi	cdc2-related kinase 1	0.0373	0.1384	0.1384
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0373	0.1384	0.0986
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0373	0.1384	0.0986
Loa Loa (eye worm)	hypothetical protein	0.0735	0.9559	0.9538
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0373	0.1384	0.0986
Trichomonas vaginalis	CMGC family protein kinase	0.0456	0.3259	1
Trypanosoma brucei	protein kinase, putative	0.0367	0.1236	0.0831
Trichomonas vaginalis	CMGC family protein kinase	0.0456	0.3259	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0755	1	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0373	0.1384	0.0986
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0456	0.3259	1
Trichomonas vaginalis	CMGC family protein kinase	0.0373	0.1384	0.3346
Brugia malayi	Protein kinase domain containing protein	0.0373	0.1384	0.0986
Trichomonas vaginalis	CMGC family protein kinase	0.0367	0.1236	0.282
Schistosoma mansoni	serine/threonine protein kinase	0.0755	1	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0755	1	1
Loa Loa (eye worm)	hypothetical protein	0.0735	0.9559	0.9538
Trichomonas vaginalis	CMGC family protein kinase	0.0373	0.1384	0.3346
Giardia lamblia	Kinase, CMGC GSK	0.0367	0.1236	0.282
Echinococcus granulosus	dual specificity	0.0755	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0367	0.1236	0.282
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0456	0.3259	0.2947
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0367	0.1236	0.0831
Entamoeba histolytica	cell division protein kinase 2, putative	0.0373	0.1384	0.0986
Echinococcus granulosus	cyclin dependent kinase 1	0.0373	0.1384	0.0986
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0755	1	1
Echinococcus granulosus	cyclin dependent kinase 5	0.0373	0.1384	0.0986
Entamoeba histolytica	protein kinase domain containing protein	0.0367	0.1236	0.0831
Echinococcus multilocularis	dual specificity	0.0456	0.3259	0.2947
Schistosoma mansoni	serine/threonine protein kinase	0.0456	0.3259	0.2947
Entamoeba histolytica	hypothetical protein	0.0755	1	1
Trypanosoma cruzi	casein kinase, putative	0.0331	0.0441	0.0441
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0367	0.1236	0.282
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0367	0.1236	0.0831
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0367	0.1236	0.0831
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0755	1	1
Trypanosoma cruzi	casein kinase, putative	0.0331	0.0441	0.0441
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0367	0.1236	0.0831
Trichomonas vaginalis	CMGC family protein kinase	0.0456	0.3259	1
Echinococcus multilocularis	dual specificity	0.0456	0.3259	0.2947
Onchocerca volvulus		0.0367	0.1236	1
Plasmodium vivax	protein kinase Crk2	0.0373	0.1384	1
Entamoeba histolytica	protein kinase, putative	0.0755	1	1
Trypanosoma cruzi	cdc2-related kinase 3	0.0373	0.1384	0.1384
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0367	0.1236	0.8427
Giardia lamblia	Kinase, CMGC GSK	0.0367	0.1236	0.282
Entamoeba histolytica	protein kinase, putative	0.0367	0.1236	0.0831
Trypanosoma cruzi	cdc2-related kinase 3	0.0373	0.1384	0.1384
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0373	0.1384	0.3346
Plasmodium falciparum	protein kinase 5	0.0373	0.1384	1
Trypanosoma cruzi	casein kinase, putative	0.0331	0.0441	0.0441
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0456	0.3259	0.3259
Giardia lamblia	Kinase, CMGC CDK	0.0373	0.1384	0.3346
Trypanosoma brucei	cdc2-related kinase 1	0.0373	0.1384	0.0986
Trypanosoma cruzi	casein kinase, putative	0.0331	0.0441	0.0441
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0456	0.3259	0.2947
Echinococcus multilocularis	protein kinase shaggy	0.0367	0.1236	0.0831
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0456	0.3259	0.2947
Entamoeba histolytica	protein kinase domain containing protein	0.0755	1	1
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0373	0.1384	0.0986
Echinococcus multilocularis	dual specificity	0.0755	1	1
Echinococcus granulosus	cyclin dependent kinase	0.0373	0.1384	0.0986
Onchocerca volvulus		0.0331	0.0441	0.3571
Echinococcus granulosus	dual specificity	0.0456	0.3259	0.2947
Entamoeba histolytica	protein kinase, putative	0.0755	1	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0373	0.1384	0.1384
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0373	0.1384	0.0986
Trichomonas vaginalis	CMGC family protein kinase	0.0456	0.3259	1
Giardia lamblia	Kinase, CMGC DYRK	0.0456	0.3259	1
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0456	0.3259	0.2947
Echinococcus multilocularis	cyclin dependent kinase 1	0.0373	0.1384	0.0986
Schistosoma mansoni	serine/threonine protein kinase	0.0373	0.1384	0.0986
Trypanosoma cruzi	casein kinase, putative	0.0331	0.0441	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0354	0.0943	0.0525
Echinococcus granulosus	dual specificity	0.0456	0.3259	0.2947
Trichomonas vaginalis	CMGC family protein kinase	0.0373	0.1384	0.3346
Echinococcus granulosus	protein kinase shaggy	0.0367	0.1236	0.0831
Echinococcus multilocularis	cyclin dependent kinase 5	0.0373	0.1384	0.0986
Trypanosoma cruzi	casein kinase, delta isoform, putative	0.0331	0.0441	0.0441
Echinococcus granulosus	dual specificity	0.0456	0.3259	0.2947
Echinococcus multilocularis	cyclin dependent kinase 1	0.0373	0.1384	0.0986
Entamoeba histolytica	protein kinase domain containing protein	0.0456	0.3259	0.2947
Brugia malayi	cell division control protein 2 homolog	0.0373	0.1384	0.0986
Schistosoma mansoni	serine/threonine protein kinase	0.0373	0.1384	0.0986
Entamoeba histolytica	protein kinase domain containing protein	0.0367	0.1236	0.0831
Echinococcus multilocularis	cyclin dependent kinase	0.0373	0.1384	0.0986
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0367	0.1236	0.0831
Giardia lamblia	Kinase, CMGC CDK	0.0373	0.1384	0.3346
Plasmodium falciparum	glycogen synthase kinase 3	0.0367	0.1236	0.8427
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0755	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.0119 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.9341 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	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: CHEMBL1607820

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 1436620