Detailed information for compound 31106

Basic information

Technical information
  • TDR Targets ID: 31106
  • Name: 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl] -5-methylpyrimidine-2,4-dione
  • MW: 226.229 | Formula: C10H14N2O4
  • H donors: 3 H acceptors: 4 LogP: -1.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cn(C/C(=C/CO)/CO)c(=O)[nH]c1=O
  • InChi: 1S/C10H14N2O4/c1-7-4-12(10(16)11-9(7)15)5-8(6-14)2-3-13/h2,4,13-14H,3,5-6H2,1H3,(H,11,15,16)/b8-2-
  • InChiKey: JTXUOOIUNQSJOS-WAPJZHGLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(Z)-4-hydroxy-2-methylol-but-2-enyl]-5-methyl-pyrimidine-2,4-quinone
  • (Z)-1-[4-Hydroxy-2-(hydroxymethyl)-2-buten-1yl]thymine
  • AIDS-059465
  • AIDS059465

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
Schistosoma mansoni serine/threonine protein kinase 0.055 0.0977 0.0912
Schistosoma mansoni serine/threonine protein kinase 0.0456 0.0641 0.0573
Echinococcus granulosus Rac GTPase activating protein 1 0.0436 0.0569 0.1062
Loa Loa (eye worm) hypothetical protein 0.0878 0.2154 0.3941
Echinococcus granulosus serine:threonine protein kinase N2 0.074 0.1661 0.3101
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0297 0.0072 0.5
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0501 0.0804 0.1501
Trichomonas vaginalis conserved hypothetical protein 0.0444 0.06 0.5512
Echinococcus multilocularis unc 13 (munc13) 0.0501 0.0804 0.1501
Entamoeba histolytica PH domain containing protein kinase, putative 0.0755 0.1712 1
Echinococcus multilocularis Diacylglycerol kinase theta 0.0436 0.0569 0.1062
Echinococcus granulosus NDR protein kinase 0.055 0.0977 0.1825
Trichomonas vaginalis AGC family protein kinase 0.055 0.0977 0.946
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0436 0.0569 0.05
Loa Loa (eye worm) hypothetical protein 0.0436 0.0569 0.094
Echinococcus multilocularis Protein kinase C, brain isozyme 0.1741 0.5251 0.9804
Trichomonas vaginalis AGC family protein kinase 0.0564 0.1029 1
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.055 0.0977 0.1825
Echinococcus multilocularis phosphorylase b kinase regulatory 0.1051 0.2775 0.518
Echinococcus multilocularis RNA directed DNA polymerase 0.0691 0.1484 0.277
Loa Loa (eye worm) hypothetical protein 0.0863 0.2103 0.3843
Echinococcus multilocularis serine:threonine protein kinase N2 0.055 0.0977 0.1825
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0448 0.0613 0.1023
Schistosoma mansoni serine/threonine protein kinase 0.1741 0.5251 0.5217
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0456 0.0641 0.1197
Trichomonas vaginalis AGC family protein kinase 0.0564 0.1029 1
Loa Loa (eye worm) hypothetical protein 0.0436 0.0569 0.094
Brugia malayi hypothetical protein 0.1051 0.2775 0.5114
Loa Loa (eye worm) hypothetical protein 0.097 0.2484 0.4565
Brugia malayi Ras association domain family 1 isoform A 0.0436 0.0569 0.094
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0884 0.2175 0.398
Echinococcus multilocularis Rac GTPase activating protein 1 0.0436 0.0569 0.1062
Echinococcus multilocularis serine threonine protein kinase 0.1306 0.3689 0.6888
Echinococcus multilocularis serine:threonine protein kinase 0.0462 0.0662 0.1236
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0297 0.0072 0.5
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0691 0.1484 0.277
Entamoeba histolytica diacylglycerol kinase, putative 0.0436 0.0569 0.2801
Entamoeba histolytica protein kinase, putative 0.055 0.0977 0.5373
Mycobacterium ulcerans glycosyl hydrolase 0.0444 0.06 0.5
Loa Loa (eye worm) AGC/NDR protein kinase 0.055 0.0977 0.1713
Loa Loa (eye worm) hypothetical protein 0.0436 0.0569 0.094
Loa Loa (eye worm) hypothetical protein 0.1126 0.3046 0.5628
Brugia malayi Protein kinase domain containing protein 0.055 0.0977 0.1713
Schistosoma mansoni phosphorylase B kinase beta kpbb 0.0705 0.1534 0.1472
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0297 0.0072 0.0135
Entamoeba histolytica protein kinase, putative 0.0564 0.1029 0.5698
Brugia malayi RhoGAP domain containing protein 0.0436 0.0569 0.094
Loa Loa (eye worm) hypothetical protein 0.0705 0.1534 0.2766
Echinococcus granulosus phosphorylase kinase gamma subunit 0.0627 0.1254 0.2341
Trichomonas vaginalis AGC family protein kinase 0.0564 0.1029 1
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0436 0.0569 0.1062
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0884 0.2175 0.398
Brugia malayi RhoGEF domain containing protein 0.0436 0.0569 0.094
Schistosoma mansoni atypical protein kinase C 0.145 0.4207 0.4165
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0297 0.0072 0.0135
Brugia malayi Protein kinase domain containing protein 0.055 0.0977 0.1713
Trichomonas vaginalis conserved hypothetical protein 0.0444 0.06 0.5512
Brugia malayi diacylglycerol kinase 0.0436 0.0569 0.094
Schistosoma mansoni phosphorylase B kinase alpha kpb1 0.1051 0.2775 0.2722
Loa Loa (eye worm) hypothetical protein 0.045 0.0621 0.1038
Loa Loa (eye worm) AGC/AKT protein kinase 0.0564 0.1029 0.1811
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0921 0.2308 0.4232
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0436 0.0569 0.094
Trichomonas vaginalis AGC family protein kinase 0.0564 0.1029 1
Leishmania major protein kinase A catalytic subunit isoform 2 0.0297 0.0072 0.5
Schistosoma mansoni protein kinase C mu 0.0884 0.2175 0.2118
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0436 0.0569 0.05
Schistosoma mansoni protein kinase C mu 0.0436 0.0569 0.05
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0297 0.0072 0.0135
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0297 0.0072 0.5
Loa Loa (eye worm) hypothetical protein 0.0428 0.0541 0.0886
Echinococcus granulosus Protein kinase C brain isozyme 0.1741 0.5251 0.9804
Trichomonas vaginalis AGC family protein kinase 0.055 0.0977 0.946
Brugia malayi Protein kinase domain containing protein 0.0564 0.1029 0.1811
Schistosoma mansoni hypothetical protein 0.0436 0.0569 0.05
Echinococcus multilocularis protein kinase c epsilon type 0.1771 0.5356 1
Loa Loa (eye worm) hypothetical protein 0.1405 0.4046 0.7521
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0436 0.0569 0.094
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0297 0.0072 0.0135
Loa Loa (eye worm) raf kinase 0.0436 0.0569 0.094
Echinococcus granulosus unc 13 munc13 0.0501 0.0804 0.1501
Onchocerca volvulus Phosphorylase b kinase regulatory subunit beta homolog 0.0705 0.1534 0.4445
Trichomonas vaginalis AGC family protein kinase 0.0564 0.1029 1
Echinococcus granulosus RNA directed DNA polymerase 0.0691 0.1484 0.277
Entamoeba histolytica hypothetical protein 0.0436 0.0569 0.2801
Brugia malayi p70 ribosomal S6 kinase beta 0.055 0.0977 0.1713
Onchocerca volvulus Putative phosphorylase b kinase regulatory subunit alpha 0.1051 0.2775 1
Leishmania major protein kinase A catalytic subunit isoform 1 0.0297 0.0072 0.5
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.055 0.0977 0.1825
Schistosoma mansoni serine/threonine protein kinase 0.0456 0.0641 0.0573
Loa Loa (eye worm) hypothetical protein 0.097 0.2484 0.4565
Echinococcus granulosus serine:threonine protein kinase N2 0.055 0.0977 0.1825
Schistosoma mansoni rac gtpase activating protein 0.0436 0.0569 0.05
Trichomonas vaginalis AGC family protein kinase 0.0564 0.1029 1
Entamoeba histolytica protein kinase, putative 0.055 0.0977 0.5373
Schistosoma mansoni serine/threonine protein kinase 0.055 0.0977 0.0912
Trichomonas vaginalis conserved hypothetical protein 0.0444 0.06 0.5512
Brugia malayi phosphorylase B kinase beta regulatory chain 0.0705 0.1534 0.2766
Onchocerca volvulus 0.0863 0.2103 0.6993
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.055 0.0977 0.1825
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0456 0.0641 0.1197
Schistosoma mansoni protein kinase C 0.0501 0.0804 0.0737
Brugia malayi phosphorylase B kinase alpha regulatory chain 0.1051 0.2775 0.5114
Giardia lamblia Kinase, AGC PKA 0.0297 0.0072 0.5
Echinococcus multilocularis myotubularin protein 13 0.045 0.0621 0.1159
Loa Loa (eye worm) CAMK/PHK protein kinase 0.0627 0.1254 0.2237
Echinococcus multilocularis raf serine:threonine protein kinase 0.0436 0.0569 0.1062
Schistosoma mansoni vav2 0.045 0.0621 0.0552
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0297 0.0072 0.0135
Trypanosoma brucei rac serine-threonine kinase, putative 0.0564 0.1029 1
Brugia malayi diacylglycerol kinase 0.0436 0.0569 0.094
Brugia malayi Hr1 repeat family protein 0.055 0.0977 0.1713
Onchocerca volvulus 0.0878 0.2154 0.7224
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.055 0.0977 0.1713
Echinococcus granulosus protein kinase C gamma type 0.1306 0.3689 0.6888
Schistosoma mansoni serine/threonine protein kinase 0.1741 0.5251 0.5217
Echinococcus granulosus protein kinase c epsilon type 0.1771 0.5356 1
Echinococcus multilocularis myosin light chain kinase, smooth muscle 0.0462 0.0662 0.1236
Onchocerca volvulus Serine\/threonine kinase homolog 0.0627 0.1254 0.3193
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0297 0.0072 0.0135
Schistosoma mansoni serine/threonine protein kinase 0.055 0.0977 0.0912
Echinococcus granulosus myotubularin protein 13 0.045 0.0621 0.1159
Loa Loa (eye worm) myosin heavy chain 0.0444 0.06 0.0998
Schistosoma mansoni serine/threonine protein kinase 0.1771 0.5356 0.5322
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0436 0.0569 0.094
Toxoplasma gondii AGC kinase 0.055 0.0977 1
Echinococcus granulosus serine:threonine protein kinase 0.0462 0.0662 0.1236
Echinococcus multilocularis serine:threonine protein kinase 38 0.055 0.0977 0.1825
Echinococcus granulosus Diacylglycerol kinase theta 0.0436 0.0569 0.1062
Brugia malayi RhoGAP domain containing protein 0.0436 0.0569 0.094
Loa Loa (eye worm) hypothetical protein 0.0444 0.06 0.0998
Echinococcus granulosus phosphorylase b kinase regulatory 0.1051 0.2775 0.518
Echinococcus multilocularis N chimaerin 0.0436 0.0569 0.1062
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.055 0.0977 0.1825
Loa Loa (eye worm) hypothetical protein 0.0436 0.0569 0.094
Trichomonas vaginalis AGC family protein kinase 0.055 0.0977 0.946
Loa Loa (eye worm) hypothetical protein 0.1051 0.2775 0.5114
Loa Loa (eye worm) hypothetical protein 0.0436 0.0569 0.094
Brugia malayi protein kinase C II. 0.1771 0.5356 1
Loa Loa (eye worm) hypothetical protein 0.0607 0.1182 0.21
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0297 0.0072 0.5
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0529 0.0905 0.8704
Schistosoma mansoni serine/threonine protein kinase 0.055 0.0977 0.0912
Loa Loa (eye worm) hypothetical protein 0.1051 0.2775 0.5114
Onchocerca volvulus 0.097 0.2484 0.87
Echinococcus granulosus protein kinase c eta type 0.0436 0.0569 0.1062
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0776 0.1791 0.3253
Leishmania major protein kinase A catalytic subunit 0.0297 0.0072 0.5
Echinococcus multilocularis protein kinase c iota type 0.1418 0.4093 0.7641
Schistosoma mansoni unc-13 (munc13) 0.0501 0.0804 0.0737
Echinococcus multilocularis protein kinase c eta type 0.0436 0.0569 0.1062
Loa Loa (eye worm) hypothetical protein 0.0436 0.0569 0.094
Echinococcus multilocularis phosphorylase kinase gamma subunit 0.0627 0.1254 0.2341
Echinococcus multilocularis serine:threonine protein kinase N2 0.1269 0.3559 0.6645
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0297 0.0072 0.5
Trichomonas vaginalis AGC family protein kinase 0.0564 0.1029 1
Loa Loa (eye worm) hypothetical protein 0.1519 0.4455 0.8294
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0297 0.0072 0.5
Brugia malayi Pleckstrin Homology Domain 0.045 0.0621 0.1038
Toxoplasma gondii diacylglycerol kinase, putative 0.0436 0.0569 0.5487
Trichomonas vaginalis AGC family protein kinase 0.0564 0.1029 1
Echinococcus granulosus phosphorylase b kinase regulatory 0.0705 0.1534 0.2864
Schistosoma mansoni serine/threonine kinase 0.055 0.0977 0.0912
Entamoeba histolytica protein kinase, putative 0.0564 0.1029 0.5698
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0501 0.0804 0.1501
Brugia malayi protein kinase C3,putative 0.0889 0.2194 0.4016
Schistosoma mansoni unc-13 (munc13) 0.0501 0.0804 0.0737
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.055 0.0977 0.1825
Loa Loa (eye worm) hypothetical protein 0.0501 0.0804 0.1385
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.055 0.0977 0.1713
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0297 0.0072 0.0135
Echinococcus granulosus N chimaerin 0.0436 0.0569 0.1062
Mycobacterium tuberculosis Conserved protein 0.0444 0.06 0.5
Loa Loa (eye worm) AGC/PKN protein kinase 0.055 0.0977 0.1713
Brugia malayi Protein kinase domain containing protein 0.0627 0.1254 0.2237
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0436 0.0569 0.1062
Brugia malayi Variant SH3 domain containing protein 0.0436 0.0569 0.094
Brugia malayi Protein kinase c protein 2 0.1212 0.3353 0.6209
Entamoeba histolytica diacylglycerol kinase, putative 0.0436 0.0569 0.2801
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.055 0.0977 0.1825
Schistosoma mansoni diacylglycerol kinase theta 0.0436 0.0569 0.05
Loa Loa (eye worm) hypothetical protein 0.097 0.2484 0.4565
Brugia malayi hypothetical protein 0.0444 0.06 0.0998
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.055 0.0977 0.1713
Echinococcus granulosus raf serine:threonine protein kinase 0.0436 0.0569 0.1062
Brugia malayi C1-like domain containing protein 0.0884 0.2175 0.398
Schistosoma mansoni serine/threonine protein kinase 0.0627 0.1254 0.119
Loa Loa (eye worm) hypothetical protein 0.0428 0.0541 0.0886
Schistosoma mansoni diacylglycerol kinase theta 0.0436 0.0569 0.05
Echinococcus multilocularis phosphorylase b kinase regulatory 0.0705 0.1534 0.2864
Brugia malayi Protein kinase domain containing protein 0.0456 0.0641 0.1077
Echinococcus granulosus myosin light chain kinase smooth muscle 0.0462 0.0662 0.1236
Echinococcus granulosus protein kinase c iota type 0.1418 0.4093 0.7641
Loa Loa (eye worm) hypothetical protein 0.0691 0.1484 0.2671
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.055 0.0977 0.1713
Onchocerca volvulus 0.0501 0.0804 0.1178
Loa Loa (eye worm) RasGEF domain-containing protein 0.0436 0.0569 0.094
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.1771 0.5356 1
Schistosoma mansoni serine/threonine protein kinase 0.0436 0.0569 0.05

Activities

Activity type Activity value Assay description Source Reference
CC25 (functional) > 100 ug ml-1 Cytotoxic concentration against uninfected CEM cells ChEMBL. 9548818
CC25 (functional) > 100 ug ml-1 Cytotoxic concentration against uninfected CEM cells ChEMBL. 9548818
CC50 (functional) > 500 ug ml-1 Cytotoxic concentration to uninfected vero cells ChEMBL. 9548818
IC50 (functional) > 100 ug ml-1 Inhibitory activity against 1RF strain of HIV-1 by plaque reduction assay in CEM cells ChEMBL. 9548818
IC50 (functional) > 100 ug ml-1 Inhibitory activity against 1RF strain of HIV-1 by plaque reduction assay in CEM cells ChEMBL. 9548818
IC50 (functional) > 500 ug ml-1 Inhibition of Tomioka strain of herpes simplex virus( Tomioka strain of HSV-1) by quantitative CPE reduction assay in vero cells ChEMBL. 9548818

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

1 literature reference was collected for this gene.

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