Detailed information for compound 230995

Basic information

Technical information
  • TDR Targets ID: 230995
  • Name: 6-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan- 2-yl]-1,6-dihydropyrimidin-2-one
  • MW: 229.233 | Formula: C9H15N3O4
  • H donors: 4 H acceptors: 3 LogP: -1.79 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(CC1O)N1C=CC(NC1=O)N
  • InChi: 1S/C9H15N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-8,13-14H,3-4,10H2,(H,11,15)
  • InChiKey: YEKVLBJYNZKBMV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-3-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,6-dihydropyrimidin-2-one
  • 6-amino-3-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1,6-dihydropyrimidin-2-one
  • 6-azanyl-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one
  • 6-amino-3-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-1,6-dihydropyrimidin-2-one
  • 4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydropyrimidin-2-one
  • 4-amino-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,4-dihydropyrimidin-2-one
  • 4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3,4-dihydropyrimidin-2-one
  • 4-amino-1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-3,4-dihydropyrimidin-2-one

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
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0074 0.0984 0.3637
Entamoeba histolytica hypothetical protein 0.0037 0.0125 1
Mycobacterium tuberculosis Probable pyrimidine operon regulatory protein PyrR 0.0044 0.0293 0.1009
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0074 0.0984 0.3637
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0044 0.0293 0.0266
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0075 0.1016 0.2691
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.01 0.7467
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0125 0.0265
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0125 0.0337
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.01 0.0198
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.019 0.3699 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0075 0.1016 0.2746
Brugia malayi hypothetical protein 0.0037 0.0125 0.0097
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0075 0.1016 0.2691
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.019 0.3699 1
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.019 0.3699 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0075 0.1016 0.2746
Mycobacterium leprae PROBABLE OROTATE PHOSPHORIBOSYLTRANSFERASE PYRE (OPRT) (OPRTASE) 0.0044 0.0293 0.1009
Mycobacterium ulcerans bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase 0.0044 0.0293 0.0723
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0984 0.2605
Mycobacterium ulcerans adenine phosphoribosyltransferase 0.0044 0.0293 0.0723
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0044 0.0293 0.2774
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0046 0.0325 0.0809
Loa Loa (eye worm) hypothetical protein 0.0459 1 1
Loa Loa (eye worm) ICD-1 protein 0.0036 0.01 0.0073
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0075 0.1016 0.2746
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.019 0.3699 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.019 0.3699 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0033 0.0028 0.0075
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.01 0.0198
Mycobacterium tuberculosis Adenine phosphoribosyltransferase Apt (APRT) (AMP diphosphorylase) (AMP pyrophosphorylase) (transphosphoribosidase) 0.0044 0.0293 0.1009
Leishmania major adenine phosphoribosyltransferase 0.0044 0.0293 0.0723
Leishmania major xanthine phosphoribosyltransferase 0.019 0.3699 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0074 0.0984 1
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0074 0.0984 0.2605
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.019 0.3699 1
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.019 0.3699 1
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0044 0.0293 0.0266
Brugia malayi Adenine phosphoribosyltransferase 0.0044 0.0293 0.0266
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.019 0.3699 1
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0145 0.2658 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0033 0.0028 0.0075
Schistosoma mansoni voltage-gated cation channel 0.0075 0.1016 0.2691
Schistosoma mansoni uracil phosphoribosyltransferase 0.0044 0.0293 0.0723
Mycobacterium ulcerans hypothetical protein 0.0044 0.0293 0.0723
Mycobacterium leprae AMIDOPHOSPHORIBOSYLTRANSFERASE PURF (GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE) (ATASE) (GPATASE) 0.0044 0.0293 0.1009
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0044 0.0293 0.0723
Echinococcus granulosus adenine phosphoribosyltransferase 0.0044 0.0293 0.0792
Loa Loa (eye worm) hypothetical protein 0.0075 0.1016 0.0991
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0075 0.1016 0.2746
Schistosoma mansoni transcription factor btf3 0.0036 0.01 0.0198
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.019 0.3699 1
Treponema pallidum hypothetical protein 0.0044 0.0293 0.2774
Schistosoma mansoni hypothetical protein 0.0037 0.0125 0.0265
Onchocerca volvulus 0.0459 1 1
Brugia malayi Phosphoribosyl transferase domain containing protein 0.019 0.3699 0.3681
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0075 0.1016 0.2746
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0044 0.0293 0.0723
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0074 0.0984 0.3637
Leishmania major basic transcription factor 3a, putative 0.0036 0.01 0.0198
Brugia malayi orotate phosphoribosyltransferase family protein 0.0044 0.0293 0.0266
Brugia malayi beta-NAC-like protein 0.0036 0.01 0.0073
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0075 0.1016 0.2746
Mycobacterium tuberculosis Conserved protein 0.0044 0.0293 0.1009
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0145 0.2658 1
Entamoeba histolytica hypothetical protein 0.0036 0.01 0.7467
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.01 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.01 0.0198
Schistosoma mansoni lozenge 0.0058 0.06 0.1559
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0044 0.0293 0.0723
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0074 0.0984 0.3637
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0044 0.0293 0.0723
Echinococcus multilocularis ETHE1 protein 0.0033 0.0028 0.0075
Treponema pallidum adenine phosphoribosyltransferase 0.0044 0.0293 0.2774
Treponema pallidum penicillin-binding protein (pbp-2) 0.0074 0.0984 1
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0033 0.0028 0.0075
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0044 0.0293 0.2774
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0074 0.0984 0.3637
Onchocerca volvulus 0.019 0.3699 0.3681
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.019 0.3699 1
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0074 0.0984 0.3637
Echinococcus multilocularis voltage dependent calcium channel 0.0075 0.1016 0.2746
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0044 0.0293 0.0723
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.019 0.3699 1
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0044 0.0293 0.0266
Entamoeba histolytica hypothetical protein 0.0037 0.0125 1
Mycobacterium tuberculosis Amidophosphoribosyltransferase PurF (glutamine phosphoribosylpyrophosphate amidotransferase) (ATASE) (gpatase) 0.0044 0.0293 0.1009
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.019 0.3699 1
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0044 0.0293 0.0723
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.01 0.0198
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.019 0.3699 1
Echinococcus granulosus zinc phosphodiesterase 0.0033 0.0028 0.0075
Chlamydia trachomatis transglycolase/transpeptidase 0.0074 0.0984 1
Loa Loa (eye worm) hypothetical protein 0.0459 1 1
Echinococcus multilocularis zinc phosphodiesterase 0.0033 0.0028 0.0075
Treponema pallidum penicillin-binding protein (pbp-3) 0.0074 0.0984 1
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0044 0.0293 0.0792
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0074 0.0984 0.2605
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.019 0.3699 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.019 0.3699 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.019 0.3699 1
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Giardia lamblia Adenine phosphoribosyltransferase 0.0044 0.0293 0.0723
Loa Loa (eye worm) runx1 0.0058 0.06 0.0574
Echinococcus granulosus ETHE1 protein 0.0033 0.0028 0.0075
Treponema pallidum penicillin-binding protein (pbp-1) 0.0074 0.0984 1
Toxoplasma gondii NAC domain-containing protein 0.0036 0.01 0.0198
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.019 0.3699 1
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.01 0.0198
Toxoplasma gondii orotate phosphoribosyltransferase 0.0044 0.0293 0.0723
Chlamydia trachomatis transglycolase/transpeptidase 0.0074 0.0984 1
Mycobacterium tuberculosis Conserved protein 0.0044 0.0293 0.1009
Entamoeba histolytica hypothetical protein 0.0037 0.0125 1
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0044 0.0293 0.2774
Echinococcus multilocularis transcription factor btf3 0.0036 0.01 0.0271
Echinococcus granulosus transcription factor btf3 0.0036 0.01 0.0271
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0044 0.0293 0.0792
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0033 0.0028 0.0075
Plasmodium falciparum orotate phosphoribosyltransferase 0.0044 0.0293 0.0723
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0044 0.0293 0.0723
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0074 0.0984 0.2605
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0074 0.0984 0.3637
Loa Loa (eye worm) calcium channel 0.0075 0.1016 0.0991
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0125 0.0337
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.01 0.0198
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Mycobacterium ulcerans orotate phosphoribosyltransferase 0.0044 0.0293 0.0723
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0075 0.1016 0.2746
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.019 0.3699 1
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0074 0.0984 0.2605
Giardia lamblia Guanine phosphoribosyltransferase 0.019 0.3699 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0044 0.0293 0.1009
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0044 0.0293 0.0723
Mycobacterium tuberculosis Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase) 0.0044 0.0293 0.1009
Echinococcus granulosus uridine 5' monophosphate synthase 0.0044 0.0293 0.0792
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0046 0.0325 0.0809
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0075 0.1016 0.0991
Mycobacterium ulcerans amidophosphoribosyltransferase 0.0044 0.0293 0.0723
Echinococcus multilocularis Protein lozenge 0.0058 0.06 0.1622
Echinococcus multilocularis voltage dependent calcium channel 0.0075 0.1016 0.2746
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.01 0.0198
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.019 0.3699 1
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0044 0.0293 0.0723
Echinococcus granulosus voltage dependent calcium channel 0.0075 0.1016 0.2746
Entamoeba histolytica hypothetical protein 0.0037 0.0125 1
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0033 0.0028 0.0075
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0033 0.0028 0.0075
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0074 0.0984 0.2605

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) NA 0 Compound was tested for inhibit phosphorylation of [3H]-D-T catalyzed by human thymidine kinase; Inactive at 1 microM concentration ChEMBL. 1331461
ID50 (binding) = 1000 uM Compound was tested for inhibit phosphorylation of [3H]-D-T catalyzed by HSV 1 thymidine kinase ChEMBL. 1331461

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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