Detailed information for compound 1436620

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  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

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

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

Bibliographic References

No literature references available for this target.

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