Detailed information for compound 540448

Basic information

Technical information
  • TDR Targets ID: 540448
  • Name: 1-[4-hydroxy-5-(isocyanomethyl)tetrahydrofura n-2-yl]-5-methyl-pyrimidine-2,4-dione
  • MW: 251.239 | Formula: C11H13N3O4
  • H donors: 2 H acceptors: 3 LogP: -1.13 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [C-]#[N+]CC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
  • InChi: 1S/C11H13N3O4/c1-6-5-14(11(17)13-10(6)16)9-3-7(15)8(18-9)4-12-2/h5,7-9,15H,3-4H2,1H3,(H,13,16,17)
  • InChiKey: GBWQKYUVGHOFTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-hydroxy-5-(isocyanomethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[4-hydroxy-5-(isocyanomethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[4-hydroxy-5-(isocyanomethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 1-[4-hydroxy-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 5'-isocyano-5'-deoxythymidine
  • 5'-Deoxy-5'-isocyanothymidine
  • 5-Icdt

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2869 0.3446
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.012 0.3717 0.3717
Schistosoma mansoni lipoxygenase 0.0085 0.2368 0.2368
Onchocerca volvulus 0.0231 0.802 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0201 0.6867 0.8837
Echinococcus multilocularis chromobox protein 1 0.0072 0.1853 0.3029
Schistosoma mansoni protein kinase 0.0056 0.1208 0.1208
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0234 0.0817
Brugia malayi serine/threonine protein kinase 6 0.0056 0.1208 0.1526
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0056 0.1208 0.4881
Trichomonas vaginalis AGC family protein kinase 0.0056 0.1208 0.1333
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.2869 0.5876
Schistosoma mansoni hypothetical protein 0.0048 0.0921 0.0921
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1853 0.2153
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.2869 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.0234 0.0631
Loa Loa (eye worm) TK/ROR protein kinase 0.0048 0.0921 0.1329
Loa Loa (eye worm) AUR protein kinase 0.0056 0.1208 0.1743
Trichomonas vaginalis AGC family protein kinase 0.0056 0.1208 0.1333
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0234 0.0817
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0234 0.5
Plasmodium falciparum thioredoxin reductase 0.0031 0.0234 0.0947
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.0234 0.0947
Loa Loa (eye worm) hypothetical protein 0.0032 0.028 0.0404
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0177 0.0477
Trichomonas vaginalis mercuric reductase, putative 0.0031 0.0234 0.0094
Echinococcus multilocularis Glycoside hydrolase, family 27 0.012 0.3717 0.6399
Schistosoma mansoni chromobox protein 0.0072 0.1853 0.1853
Loa Loa (eye worm) hypothetical protein 0.0049 0.0935 0.1349
Loa Loa (eye worm) hypothetical protein 0.004 0.062 0.0894
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.008 0.2161 0.2161
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0739 0.0736
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.007 0.1785 0.1785
Brugia malayi Pre-SET motif family protein 0.0203 0.693 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.012 0.3717 0.6399
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.008 0.2161 0.2546
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0177 0.0089
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.0234 0.0103
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0031 0.0234 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0086 0.2382 0.2382
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2869 0.3446
Loa Loa (eye worm) hypothetical protein 0.0033 0.0337 0.0487
Plasmodium vivax SET domain protein, putative 0.0029 0.0177 0.0716
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0048 0.0921 0.3723
Brugia malayi chromobox protein homolog 3 0.004 0.062 0.0655
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0201 0.6867 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0234 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0122 0.3797 0.6544
Giardia lamblia Aurora kinase 0.0056 0.1208 0.3695
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0739 0.0593
Leishmania major protein kinase, putative 0.0056 0.1208 0.421
Trichomonas vaginalis conserved hypothetical protein 0.004 0.062 0.0584
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2869 0.3446
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0088 0.2475 0.2985
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0637 0.0637
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0234 0.0817
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0061 0.1429 0.1853
Trypanosoma brucei trypanothione reductase 0.0088 0.2475 0.8626
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0935 0.1122
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2869 0.3446
Loa Loa (eye worm) hypothetical protein 0.0061 0.1429 0.2062
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.008 0.2161 0.2161
Echinococcus granulosus aurora kinase A 0.0056 0.1208 0.2305
Echinococcus granulosus chromobox protein 1 0.0072 0.1853 0.3692
Echinococcus granulosus potassium large conductance calcium activated 0.0092 0.2633 0.537
Loa Loa (eye worm) thioredoxin reductase 0.0088 0.2475 0.3571
Leishmania major hypothetical protein, conserved 0.0048 0.0921 0.3212
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0947 0.1002
Brugia malayi Melibiase family protein 0.008 0.2161 0.2937
Trichomonas vaginalis AGC family protein kinase 0.0056 0.1208 0.1333
Echinococcus multilocularis thioredoxin glutathione reductase 0.0089 0.2495 0.419
Loa Loa (eye worm) AUR protein kinase 0.0056 0.1208 0.1743
Loa Loa (eye worm) hypothetical protein 0.008 0.2161 0.3118
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0201 0.6867 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0088 0.2475 1
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0086 0.2382 0.3438
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.2869 0.3345
Loa Loa (eye worm) hypothetical protein 0.0048 0.0921 0.1329
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0234 0.0817
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0234 0.0817
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.012 0.3717 0.3717
Loa Loa (eye worm) hypothetical protein 0.0029 0.0177 0.0256
Toxoplasma gondii aurora kinase 0.0056 0.1208 0.325
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.2869 0.4139
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0921 0.3212
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.0234 0.0947
Plasmodium vivax glutathione reductase, putative 0.0088 0.2475 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0223 0.7739 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.2869 0.3986
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0337 0.0237
Schistosoma mansoni hypothetical protein 0.0033 0.0337 0.0337
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0031 0.0234 0.0817
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.2869 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0048 0.0921 0.3723
Schistosoma mansoni chromobox protein 0.0072 0.1853 0.1853
Loa Loa (eye worm) AUR protein kinase 0.0056 0.1208 0.1743
Schistosoma mansoni calcium-activated potassium channel 0.0092 0.2633 0.2633
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0234 0.0817
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.0234 0.0947
Trichomonas vaginalis AGC family protein kinase 0.0056 0.1208 0.1333
Schistosoma mansoni thyroid hormone receptor 0.0171 0.5708 0.5708
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.2869 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0223 0.7739 1
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.2869 0.2869
Toxoplasma gondii melibiase subfamily protein 0.012 0.3717 1
Trypanosoma cruzi trypanothione reductase, putative 0.0088 0.2475 0.8626
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.0234 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0234 0.0817
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.012 0.3717 0.3717
Trichomonas vaginalis glutathione reductase, putative 0.0031 0.0234 0.0094
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0935 0.1349
Echinococcus granulosus chromobox protein 1 0.0072 0.1853 0.3692
Echinococcus multilocularis aurora kinase A 0.0056 0.1208 0.1863
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0056 0.1208 0.1863
Echinococcus granulosus thioredoxin glutathione reductase 0.0089 0.2495 0.5073
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0031 0.0234 0.0817
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0201 0.6867 0.8837
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.0234 0.0085
Schistosoma mansoni hypothetical protein 0.0148 0.4787 0.4787
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.0234 0.0631
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0031 0.0234 0.0234
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0031 0.0234 0.5
Loa Loa (eye worm) glutathione reductase 0.0088 0.2475 0.3571
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2869 0.3446
Trypanosoma cruzi aurora B kinase, putative 0.0056 0.1208 0.421
Plasmodium falciparum glutathione reductase 0.0088 0.2475 1
Plasmodium falciparum thioredoxin reductase 0.0088 0.2475 1
Brugia malayi Protein kinase domain containing protein 0.0048 0.0921 0.1102
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0234 0.0817
Brugia malayi Kringle domain containing protein 0.0048 0.0921 0.1102
Toxoplasma gondii thioredoxin reductase 0.0088 0.2475 0.6658
Giardia lamblia Kinase, PLK 0.0098 0.2869 1
Onchocerca volvulus 0.0048 0.0921 0.0829
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.012 0.3717 0.3717
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0234 0.0817
Schistosoma mansoni lipoxygenase 0.0122 0.3797 0.3797
Mycobacterium tuberculosis Probable oxidoreductase 0.0223 0.7739 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0935 0.1122
Mycobacterium tuberculosis Probable reductase 0.0201 0.6867 0.8837
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0148 0.4787 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0056 0.1208 0.2305
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0234 0.0817
Schistosoma mansoni kinase 0.005 0.0998 0.0998
Brugia malayi serine/threonine-protein kinase 6 0.0056 0.1208 0.1526
Echinococcus multilocularis thyroid hormone receptor alpha 0.0171 0.5708 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2869 0.3446
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2869 0.3446
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1853 0.2153
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.2869 1
Echinococcus multilocularis calcium activated potassium channel variant 0.0086 0.2382 0.3987
Plasmodium falciparum serine/threonine protein kinase, putative 0.0056 0.1208 0.4881
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0177 0.0177
Brugia malayi Heterochromatin protein 1 0.0072 0.1853 0.2481
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0739 0.0736
Loa Loa (eye worm) MaxiK calcium-activated potassium channel 0.0061 0.1429 0.2062
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.012 0.3717 0.77
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0148 0.4787 0.8334
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.1853 0.2673
Echinococcus granulosus tissue type plasminogen activator 0.0048 0.0921 0.1689
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.0234 0.0947
Schistosoma mansoni thyroid hormone receptor 0.0171 0.5708 0.5708
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0234 0.0817
Echinococcus granulosus calcium activated potassium channel variant 0.0086 0.2382 0.4831
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0234 0.0817
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.693 1
Brugia malayi glutathione reductase 0.0088 0.2475 0.3402
Trypanosoma brucei polo-like protein kinase 0.0098 0.2869 1
Trypanosoma cruzi trypanothione reductase, putative 0.0031 0.0234 0.0817
Onchocerca volvulus 0.0041 0.0637 0.0461
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0122 0.3797 0.7872
Trichomonas vaginalis set domain proteins, putative 0.0231 0.802 1
Treponema pallidum NADH oxidase 0.0031 0.0234 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0947 0.1002
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0031 0.0234 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.062 0.0439
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.1208 0.1208
Echinococcus multilocularis potassium large conductance calcium activated 0.0092 0.2633 0.4441
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0223 0.7739 1
Echinococcus multilocularis chromobox protein 1 0.0072 0.1853 0.3029
Brugia malayi Thioredoxin reductase 0.0088 0.2475 0.3402
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.0234 0.0817
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.0234 0.0212
Echinococcus multilocularis tissue type plasminogen activator 0.0048 0.0921 0.1345
Echinococcus granulosus calcium activated potassium channel 0.0093 0.2663 0.5435
Trichomonas vaginalis conserved hypothetical protein 0.004 0.062 0.0584
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0177 0.0177
Plasmodium falciparum glutathione reductase 0.0031 0.0234 0.0947
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0201 0.6867 0.8837
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0177 0.0177
Brugia malayi serine/threonine kinase 12 0.0056 0.1208 0.1526
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.2869 0.4866
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.0234 0.0817
Trypanosoma brucei aurora B kinase 0.0056 0.1208 0.421
Leishmania major trypanothione reductase 0.0088 0.2475 0.8626
Toxoplasma gondii kringle domain-containing protein 0.0048 0.0921 0.2479
Echinococcus multilocularis calcium activated potassium channel 0.0093 0.2663 0.4495

Activities

No activities found for this compound.

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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