Detailed information for compound 61246

Basic information

Technical information
  • TDR Targets ID: 61246
  • Name: 1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyr imidine-2,4-dione
  • MW: 226.229 | Formula: C10H14N2O4
  • H donors: 3 H acceptors: 4 LogP: -0.73 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1CC(CC1O)n1ccc(=O)[nH]c1=O
  • InChi: 1S/C10H14N2O4/c13-5-6-3-7(4-8(6)14)12-2-1-9(15)11-10(12)16/h1-2,6-8,13-14H,3-5H2,(H,11,15,16)
  • InChiKey: JIFXFEDXEKJYAE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-hydroxy-4-methylol-cyclopentyl)pyrimidine-2,4-quinone
  • 62102-28-7
  • NSC249001

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
Trypanosoma cruzi peptidase, putative 0.0024 0.0089 0.1453
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0033 0.0296
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0097 0.191
Chlamydia trachomatis DNA helicase 0.0033 0.0141 0.0077
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0062 0.0142
Schistosoma mansoni DNA helicase recq5 0.002 0.0062 0.0151
Mycobacterium ulcerans ATP-dependent DNA helicase 0.0065 0.0347 0.0478
Brugia malayi MH2 domain containing protein 0.0122 0.0702 0.802
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0033 0.0025
Giardia lamblia DNA repair protein RAD52 0.0343 0.2093 1
Echinococcus granulosus 3'partial|nardilysin 0.0024 0.0089 0.0207
Loa Loa (eye worm) hypothetical protein 0.0101 0.0572 0.6464
Mycobacterium ulcerans exodeoxyribonuclease V (alpha chain), RecD 0.0521 0.3213 0.4687
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0024 0.0089 0.0215
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0229 0.0221
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0077 0.0417 0.4603
Mycobacterium ulcerans exodeoxyribonuclease V (beta chain), RecB 0.0317 0.1931 0.2804
Mycobacterium ulcerans hypothetical protein 0.0033 0.0141 0.0176
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0062 0.035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.0867 1
Schistosoma mansoni hypothetical protein 0.0036 0.0161 0.0388
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0077 0.0417 0.0998
Mycobacterium ulcerans exodeoxyribonuclease V (gamma chain), RecC 0.1096 0.6832 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0077 0.0417 1
Schistosoma mansoni hypothetical protein 0.0047 0.023 0.0555
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.035
Entamoeba histolytica hypothetical protein 0.0036 0.0161 0.0768
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0033 0.0296
Entamoeba histolytica hypothetical protein 0.0098 0.0549 0.2624
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0229 0.0552
Mycobacterium leprae conserved hypothetical protein 0.0033 0.0141 0.0003
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0077 0.0417 0.4603
Schistosoma mansoni hypothetical protein 0.0669 0.4143 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0077 0.0417 1
Entamoeba histolytica hypothetical protein 0.0036 0.0161 0.0768
Mycobacterium tuberculosis Probable exonuclease V (beta chain) RecB (exodeoxyribonuclease V beta chain)(exodeoxyribonuclease V polypeptide) (chi-specific e 0.035 0.2137 0.3095
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0033 0.0025
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0024 0.0089 0.0215
Echinococcus multilocularis nardilysin 0.0024 0.0089 0.0081
Toxoplasma gondii UvrD/REP helicase domain-containing protein 0.0033 0.0141 0.3388
Chlamydia trachomatis exodeoxyribonuclease V subunit alpha 0.0521 0.3213 0.4634
Leishmania major hypothetical protein, conserved 0.0026 0.0097 0.191
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0062 0.1497
Chlamydia trachomatis exodeoxyribonuclease V subunit gamma 0.1096 0.6832 1
Mycobacterium tuberculosis Probable exonuclease V (alpha chain) RecD (exodeoxyribonuclease V alpha chain) (exodeoxyribonuclease V polypeptide) 0.0521 0.3213 0.4678
Schistosoma mansoni hypothetical protein 0.0669 0.4143 1
Schistosoma mansoni hypothetical protein 0.0047 0.023 0.0555
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0033 0.008
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0077 0.0417 1
Mycobacterium tuberculosis Probable ATP-dependent DNA helicase II UvrD2 0.0033 0.0141 0.0159
Echinococcus multilocularis insulin degrading enzyme 0.0024 0.0089 0.0081
Schistosoma mansoni nardilysin (M16 family) 0.0024 0.0089 0.0215
Schistosoma mansoni hypothetical protein 0.0047 0.023 0.0555
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0229 0.0221
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0062 0.035
Brugia malayi insulin-degrading enzyme 0.0024 0.0089 0.0669
Treponema pallidum hypothetical protein 0.0033 0.0141 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.023 0.0222
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0077 0.0417 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0097 0.1663
Schistosoma mansoni hypothetical protein 0.0101 0.0572 0.138
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0033 0.0796
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0161 0.038
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0097 0.1663
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0229 0.0544
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0077 0.0417 0.1992
Loa Loa (eye worm) hypothetical protein 0.0148 0.0867 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0077 0.0417 0.0409
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.0867 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0062 0.0142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0229 0.0552
Mycobacterium tuberculosis Probable exonuclease V (gamma chain) RecC (exodeoxyribonuclease V gamma chain)(exodeoxyribonuclease V polypeptide) 0.1096 0.6832 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0062 0.1035
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0077 0.0417 0.4603
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.0867 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0229 0.0552
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0062 0.1035
Chlamydia trachomatis exodeoxyribonuclease V subunit beta 0.0317 0.1931 0.2732
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0077 0.0417 0.4603
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0033 0.0796
Schistosoma mansoni hypothetical protein 0.0047 0.023 0.0555
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.023 0.0547
Echinococcus granulosus GPCR family 2 0.0047 0.023 0.0547
Toxoplasma gondii hypothetical protein 0.0055 0.028 0.6717
Echinococcus multilocularis nardilysin 0.0024 0.0089 0.0081
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0229 0.0544
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0062 0.035
Schistosoma mansoni insulysin (M16 family) 0.0014 0.0021 0.005
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0062 0.0055
Loa Loa (eye worm) insulin-degrading enzyme 0.0024 0.0089 0.0669
Echinococcus granulosus insulin degrading enzyme 0.0024 0.0089 0.0207
Echinococcus granulosus geminin 0.0669 0.4143 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0077 0.0417 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.023 0.236
Mycobacterium tuberculosis Possible ATP-dependent DNA helicase 0.0065 0.0347 0.0462
Entamoeba histolytica hypothetical protein 0.0036 0.0161 0.0768
Mycobacterium leprae conserved hypothetical protein 0.0088 0.0486 1
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0062 0.1035
Trypanosoma cruzi ATP-dependent DNA helicase, putative 0.0033 0.0141 0.2815
Entamoeba histolytica recQ family helicase, putative 0.002 0.0062 0.0298
Echinococcus multilocularis bloom syndrome protein 0.002 0.0062 0.0055
Schistosoma mansoni hypothetical protein 0.0012 0.0008 0.0019
Mycobacterium ulcerans ATP-dependent DNA helicase 0.0065 0.0347 0.0478
Wolbachia endosymbiont of Brugia malayi RecB exonuclease 0.0033 0.0141 1
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0343 0.2093 1
Echinococcus multilocularis geminin 0.0669 0.4143 0.4139
Plasmodium vivax ATP-dependent DNA helicase UvrD, putative 0.0033 0.0141 0.3388
Mycobacterium tuberculosis Probable ATP-dependent DNA helicase II UvrD1 0.0033 0.0141 0.0159
Echinococcus multilocularis GPCR, family 2 0.0047 0.023 0.0222
Echinococcus granulosus bloom syndrome protein 0.002 0.0062 0.0142
Brugia malayi hypothetical protein 0.0017 0.004 0.0077
Treponema pallidum hypothetical protein 0.0033 0.0141 1
Loa Loa (eye worm) RecQ helicase 0.002 0.0062 0.035
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.023 0.236
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0077 0.0417 1
Plasmodium falciparum ATP-dependent DNA helicase UvrD 0.0033 0.0141 0.2815
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0062 0.1035
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0229 0.2347
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0229 0.2347
Schistosoma mansoni nardilysin (M16 family) 0.0024 0.0089 0.0215
Toxoplasma gondii insulysin, putative 0.0023 0.0081 0.1953
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0033 0.0025
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0062 0.0761
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0077 0.0417 0.1006
Mycobacterium ulcerans ATP-dependent DNA helicase II UvrD1 0.0033 0.0141 0.0176
Onchocerca volvulus Mitochondrial genome maintenance exonuclease 1 homolog 0.0033 0.0141 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0033 0.0296
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0572 0.6464
Echinococcus multilocularis neuropeptide receptor A26 0.0474 0.2919 0.2913
Echinococcus granulosus nardilysin 0.0024 0.0089 0.0207
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0097 0.2327
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0077 0.0417 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0033 0.0025
Loa Loa (eye worm) hypothetical protein 0.0047 0.023 0.236
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0062 0.0055
Giardia lamblia RNA helicase, putative 0.0055 0.028 0.1072
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.023 0.0547
Entamoeba histolytica hypothetical protein 0.0036 0.0161 0.0768
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0033 0.0796
Echinococcus granulosus hypothetical protein 0.0033 0.0141 0.0333
Echinococcus granulosus neuropeptide receptor A26 0.0474 0.2919 0.7042
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0161 0.0388
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0702 0.802
Echinococcus granulosus neuropeptide s receptor 0.0474 0.2919 0.7042
Echinococcus multilocularis conserved hypothetical protein 0.0033 0.0141 0.0134
Trypanosoma cruzi peptidase, putative 0.0024 0.0089 0.1453
Trypanosoma cruzi ATP-dependent DNA helicase, putative 0.0033 0.0141 0.2815
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0098 0.0549 0.2624
Brugia malayi hypothetical protein 0.0026 0.0097 0.0765
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0062 0.0761
Echinococcus multilocularis nardilysin 0.0015 0.0028 0.0021
Toxoplasma gondii toxolysin TLN4 0.0011 0.0003 0.0083
Mycobacterium ulcerans hypothetical protein 0.0055 0.028 0.038
Brugia malayi Latrophilin receptor protein 2 0.0047 0.023 0.236
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0008 0.001
Schistosoma mansoni DNA helicase recq1 0.002 0.0062 0.0151
Loa Loa (eye worm) hypothetical protein 0.0026 0.0097 0.0765
Mycobacterium tuberculosis Probable ATP-dependent DNA helicase 0.0065 0.0347 0.0462
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0161 0.0153
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0062 0.1035
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.023 0.0222
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0702 0.802
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0033 0.0025
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0062 0.1497
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0062 0.0761
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0097 0.2327
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0077 0.0417 1
Leishmania major phosphoglycan beta 1,3 galactosyltransferase 5 0.0024 0.0089 0.1707
Mycobacterium tuberculosis Conserved hypothetical protein 0.0033 0.0141 0.0159
Chlamydia trachomatis exodeoxyribonuclease V subunit alpha 0.0521 0.3213 0.4634
Toxoplasma gondii sporozoite developmental protein 0.0024 0.0089 0.2134
Trypanosoma brucei peptidase, putative 0.0024 0.0089 0.1707
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0062 0.035
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0097 0.1663
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0033 0.0072
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0077 0.0417 1
Trichomonas vaginalis ATP-dependent DNA helicase rep, putative 0.0033 0.0141 0.3028
Toxoplasma gondii peptidase M16 inactive domain-containing protein 0.0015 0.0028 0.0677
Toxoplasma gondii rhoptry metalloprotease toxolysin TLN1 0.0024 0.0089 0.2134
Echinococcus multilocularis neuropeptide s receptor 0.0474 0.2919 0.2913
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0097 0.1663
Brugia malayi hypothetical protein 0.0036 0.0161 0.1531

Activities

Activity type Activity value Assay description Source Reference
Virus rating (functional) = 0 Antiviral activity of the compound against herpes simplex virus(1) strain 377, expressed as virus rating ChEMBL. 6298423

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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