Detailed information for compound 1133940

Basic information

Technical information
  • TDR Targets ID: 1133940
  • Name: (4Z)-3-methyl-4-[(5-phenylfuran-2-yl)methylid ene]-1,2-oxazol-5-one
  • MW: 253.253 | Formula: C15H11NO3
  • H donors: 0 H acceptors: 1 LogP: 2.99 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=NOC(=O)/C/1=C\c1ccc(o1)c1ccccc1
  • InChi: 1S/C15H11NO3/c1-10-13(15(17)19-16-10)9-12-7-8-14(18-12)11-5-3-2-4-6-11/h2-9H,1H3/b13-9-
  • InChiKey: IWWQHOIKFFPVAC-LCYFTJDESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4Z)-3-methyl-4-[(5-phenyl-2-furyl)methylene]isoxazol-5-one
  • (4Z)-3-methyl-4-[(5-phenyl-2-furyl)methylene]-5-isoxazolone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Yersinia pestis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase Get druggable targets OG5_130885 All targets in OG5_130885
Plasmodium berghei 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative Get druggable targets OG5_130885 All targets in OG5_130885
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase Get druggable targets OG5_130885 All targets in OG5_130885
Theileria parva 4-diphosphocytidyl-2C-methyl-D-erythritol kinase, putative Get druggable targets OG5_130885 All targets in OG5_130885
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) Get druggable targets OG5_130885 All targets in OG5_130885
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) Get druggable targets OG5_130885 All targets in OG5_130885
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase Get druggable targets OG5_130885 All targets in OG5_130885
Babesia bovis hypothetical protein Get druggable targets OG5_130885 All targets in OG5_130885
Plasmodium knowlesi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative Get druggable targets OG5_130885 All targets in OG5_130885
Plasmodium yoelii 4-diphosphocytidyl-2-c-methyl-d-erythritol kinase (ec 2.7.1.148) (cmk) (4-(cytidine-5'-diphospho)-2-c-methyl-d-erythritol kinase Get druggable targets OG5_130885 All targets in OG5_130885
Plasmodium vivax 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative Get druggable targets OG5_130885 All targets in OG5_130885
Treponema pallidum hypothetical protein Get druggable targets OG5_130885 All targets in OG5_130885
Plasmodium falciparum 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative Get druggable targets OG5_130885 All targets in OG5_130885
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
Loa Loa (eye worm) hypothetical protein 0.0166 0.281 1
Echinococcus granulosus galactokinase 0.0026 0.0167 0.0167
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.1038 0.3694
Echinococcus granulosus neuropeptide receptor A26 0.0546 1 1
Trypanosoma cruzi homoserine kinase 0.0026 0.0167 0.0894
Echinococcus multilocularis N acetylgalactosamine kinase 0.0026 0.0167 0.0167
Plasmodium falciparum 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0175 0.299 0.5
Onchocerca volvulus Huntingtin homolog 0.0145 0.241 0.5
Mycobacterium ulcerans galactokinase 0.0026 0.0167 0.0252
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.1038 1
Echinococcus granulosus N acetylgalactosamine kinase 0.0026 0.0167 0.0167
Echinococcus granulosus Mevalonate galactokinase 0.0026 0.0167 0.0167
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.1038 0.3269
Schistosoma mansoni galactokinase 0.0026 0.0167 0.0524
Loa Loa (eye worm) hypothetical protein 0.0054 0.0704 0.2505
Trypanosoma cruzi homoserine kinase 0.0026 0.0167 0.0894
Echinococcus granulosus muscleblind protein 0.0166 0.281 0.281
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0201 0.3483 0.5
Loa Loa (eye worm) galactokinase 0.0026 0.0167 0.0593
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.1038 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.1038 0.1038
Echinococcus multilocularis Mevalonate galactokinase 0.0026 0.0167 0.0167
Echinococcus multilocularis muscleblind protein 1 0.0166 0.281 0.281
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0698 0.2484
Brugia malayi Cytochrome P450 family protein 0.0054 0.0698 0.2484
Schistosoma mansoni mevalonate kinase 0.0026 0.0167 0.0524
Leishmania major mevalonate kinase, putative 0.0026 0.0167 0.0894
Leishmania major homoserine kinase, putative 0.0026 0.0167 0.0894
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.1038 0.1038
Trypanosoma cruzi galactokinase, putative 0.0026 0.0167 0.0894
Echinococcus multilocularis geminin 0.0185 0.3175 0.3175
Trypanosoma brucei mevalonate kinase, putative 0.0026 0.0167 0.0894
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0464 0.0464
Leishmania major phosphomevalonate kinase protein, putative 0.0026 0.0167 0.0894
Echinococcus multilocularis muscleblind protein 0.0166 0.281 0.281
Echinococcus granulosus geminin 0.0185 0.3175 0.3175
Loa Loa (eye worm) hypothetical protein 0.0026 0.0167 0.0593
Brugia malayi Cytochrome P450 family protein 0.0022 0.0081 0.0288
Loa Loa (eye worm) hypothetical protein 0.0037 0.0378 0.1346
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.1038 1
Trypanosoma cruzi galactokinase, putative 0.0026 0.0167 0.0894
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0081 0.0288
Echinococcus multilocularis galactokinase 0.0026 0.0167 0.0167
Plasmodium vivax 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0175 0.299 0.5
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0201 0.3483 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0081 0.0288
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0464 0.0464
Brugia malayi Cytochrome P450 family protein 0.0022 0.0081 0.0288
Loa Loa (eye worm) hypothetical protein 0.0145 0.241 0.8575
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.1038 1
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0201 0.3483 0.5
Brugia malayi mevalonate kinase family protein 0.0026 0.0167 0.0593
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0704 0.2505
Brugia malayi galactokinase family protein 0.0026 0.0167 0.0593
Schistosoma mansoni hypothetical protein 0.0037 0.0378 0.1191
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0026 0.0167 0.0252
Treponema pallidum hypothetical protein 0.0201 0.3483 0.5
Trichomonas vaginalis galactokinase, putative 0.0026 0.0167 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0546 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.241 0.8575
Trichomonas vaginalis galactokinase, putative 0.0026 0.0167 0.5
Schistosoma mansoni hypothetical protein 0.0185 0.3175 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.1038 1
Mycobacterium ulcerans phosphomevalonate kinase 0.0026 0.0167 0.0252
Schistosoma mansoni hypothetical protein 0.0185 0.3175 1
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0026 0.0167 0.5
Trypanosoma cruzi mevalonate kinase, putative 0.0026 0.0167 0.0894
Trichomonas vaginalis galactokinase, putative 0.0026 0.0167 0.5
Giardia lamblia Mevalonate kinase 0.0026 0.0167 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0546 1 1
Trichomonas vaginalis galactokinase, putative 0.0026 0.0167 0.5
Leishmania major galactokinase-like protein 0.0026 0.0167 0.0894
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.1038 0.3694
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0704 0.2505
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0704 0.2505
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0186 0.3199 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0081 0.0288
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0175 0.299 1
Brugia malayi hypothetical protein 0.0145 0.241 0.8575
Toxoplasma gondii GHMP kinase, putative 0.0026 0.0167 0.5
Onchocerca volvulus Huntingtin homolog 0.0145 0.241 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0378 0.1346
Brugia malayi Muscleblind-like protein 0.0166 0.281 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.281 1
Trypanosoma brucei homoserine kinase 0.0026 0.0167 0.0894
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0026 0.0167 0.0894
Mycobacterium ulcerans homoserine kinase 0.0026 0.0167 0.0252

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 uM Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or standard pyruvate kinase/lactate dehydrogenase-coupled absorbance-based assay ChEMBL. 21903402

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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