Detailed information for compound 281305

Basic information

Technical information
  • TDR Targets ID: 281305
  • Name: (2-methoxy-6-morpholin-4-yl-5-nitropyrimidin- 4-yl)methanol
  • MW: 270.242 | Formula: C10H14N4O5
  • H donors: 1 H acceptors: 5 LogP: -0.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nc(N2CCOCC2)c(c(n1)CO)[N+](=O)[O-]
  • InChi: 1S/C10H14N4O5/c1-18-10-11-7(6-15)8(14(16)17)9(12-10)13-2-4-19-5-3-13/h15H,2-6H2,1H3
  • InChiKey: MBZAETPMRVYKCK-UHFFFAOYSA-N  

Network

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Synonyms

  • (2-methoxy-6-morpholino-5-nitro-pyrimidin-4-yl)methanol
  • (2-methoxy-6-morpholino-5-nitro-4-pyrimidinyl)methanol
  • (2-methoxy-6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)methanol

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
Brugia malayi TAR-binding protein 0.0055 0.0214 0.0265
Trypanosoma cruzi aminopeptidase P1, putative 0.0106 0.063 0.0468
Schistosoma mansoni hypothetical protein 0.0031 0.0017 0.0017
Echinococcus multilocularis xaa Pro dipeptidase 0.0106 0.063 0.063
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0838 0.6654 0.6654
Loa Loa (eye worm) methionine aminopeptidase type I 0.1011 0.808 1
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0214 0.0214
Treponema pallidum methionine aminopeptidase (map) 0.0838 0.6654 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.0017 0.0017
Toxoplasma gondii methionine aminopeptidase 0.0838 0.6654 0.8085
Echinococcus multilocularis FACT complex subunit SPT16 0.0106 0.063 0.063
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.1011 0.808 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0466 0.0577
Echinococcus multilocularis transcription factor Dp 1 0.0036 0.0051 0.0051
Echinococcus granulosus xaa pro aminopeptidase 0.0106 0.063 0.063
Giardia lamblia Xaa-Pro dipeptidase 0.0106 0.063 0.5
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.1011 0.808 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0061 0.0264 0.4025
Schistosoma mansoni hypothetical protein 0.0036 0.0051 0.0051
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0055 0.0214 0.0265
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Brugia malayi metallopeptidase family M24 containing protein 0.0106 0.063 0.0779
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Echinococcus multilocularis neuropeptide receptor A26 0.0432 0.3316 0.3316
Loa Loa (eye worm) hypothetical protein 0.0063 0.028 0.0347
Echinococcus granulosus tar DNA binding protein 0.0055 0.0214 0.0214
Schistosoma mansoni hypothetical protein 0.0036 0.0051 0.0051
Echinococcus granulosus transcription factor Dp 1 0.0036 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0106 0.063 0.0779
Toxoplasma gondii hypothetical protein 0.0173 0.1185 0.0746
Chlamydia trachomatis methionine aminopeptidase 0.0838 0.6654 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.1011 0.808 1
Trypanosoma cruzi hypothetical protein, conserved 0.0173 0.1185 0.1179
Leishmania major aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Echinococcus granulosus neuropeptide s receptor 0.0432 0.3316 0.3316
Brugia malayi hypothetical protein 0.0031 0.0017 0.0021
Echinococcus multilocularis tar DNA binding protein 0.0055 0.0214 0.0214
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.1011 0.808 1
Brugia malayi metallopeptidase family M24 containing protein 0.0106 0.063 0.0779
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0838 0.6654 1
Leishmania major hypothetical protein, conserved 0.0106 0.063 0.0468
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0106 0.063 0.0468
Echinococcus multilocularis expressed conserved protein 0.0081 0.0424 0.0424
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0106 0.063 0.063
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0106 0.063 0.0468
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0106 0.063 0.0468
Echinococcus granulosus xaa Pro dipeptidase 0.0106 0.063 0.063
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Loa Loa (eye worm) TAR-binding protein 0.0055 0.0214 0.0265
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0109 0.0109
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0838 0.6654 0.8085
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.0109 0.0134
Loa Loa (eye worm) RNA binding protein 0.0055 0.0214 0.0265
Loa Loa (eye worm) hypothetical protein 0.0037 0.0062 0.0077
Trypanosoma brucei hypothetical protein, conserved 0.0173 0.1185 0.1179
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0106 0.063 0.0779
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.0109 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0045 0.0131 0.0162
Loa Loa (eye worm) initiation factor 2-associated protein 0.0106 0.063 0.0779
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.1011 0.808 1
Leishmania major methionine aminopeptidase 2, putative 0.0106 0.063 0.0468
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0109 0.0109
Brugia malayi initiation factor 2-associated protein. 0.0106 0.063 0.0779
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0106 0.063 0.0468
Giardia lamblia Methionine aminopeptidase 0.0106 0.063 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Echinococcus multilocularis protein dispatched 1 0.0042 0.0105 0.0105
Brugia malayi CHE-14 protein 0.0037 0.0062 0.0077
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0838 0.6654 0.6654
Echinococcus multilocularis xaa pro aminopeptidase 0.0106 0.063 0.063
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Echinococcus granulosus neuropeptide receptor A26 0.0432 0.3316 0.3316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0109 0.0109
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.0017 0.0017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0109 0.0109
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0106 0.063 0.063
Schistosoma mansoni hypothetical protein 0.0063 0.028 0.028
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0106 0.063 0.0468
Entamoeba histolytica peptidase, putative 0.0106 0.063 1
Entamoeba histolytica hypothetical protein, conserved 0.0106 0.063 1
Echinococcus multilocularis xaa Pro dipeptidase 0.0106 0.063 0.063
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0093 0.0521 0.0645
Brugia malayi MH2 domain containing protein 0.0104 0.0617 0.0764
Loa Loa (eye worm) transcription factor SMAD2 0.0104 0.0617 0.0764
Schistosoma mansoni hypothetical protein 0.0036 0.0051 0.0051
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0838 0.6654 0.8085
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0106 0.063 0.063
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0106 0.063 0.063
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0838 0.6654 0.6654
Brugia malayi RNA recognition motif domain containing protein 0.0055 0.0214 0.0265
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Echinococcus multilocularis protein patched 0.0037 0.0062 0.0062
Plasmodium vivax hypothetical protein, conserved 0.0173 0.1185 0.0746
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0087 0.0477 0.0477
Trypanosoma cruzi aminopeptidase P, putative 0.0106 0.063 0.0468
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0106 0.063 0.0779
Onchocerca volvulus Huntingtin homolog 0.0114 0.0696 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0037 0.0062 0.0062
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0106 0.063 0.0468
Loa Loa (eye worm) MH2 domain-containing protein 0.0104 0.0617 0.0764
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0838 0.6654 1
Trypanosoma cruzi hypothetical protein, conserved 0.0173 0.1185 0.1179
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Echinococcus multilocularis microtubule associated protein 2 0.1244 1 1
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0106 0.063 0.063
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0838 0.6654 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.1011 0.808 0.808
Giardia lamblia Xaa-Pro dipeptidase 0.0106 0.063 0.5
Onchocerca volvulus Huntingtin homolog 0.0114 0.0696 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Brugia malayi latrophilin 2 splice variant baaae 0.0063 0.028 0.0347
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0214 0.0214
Schistosoma mansoni microtubule-associated protein tau 0.1244 1 1
Echinococcus granulosus methionine aminopeptidase type I 0.0106 0.063 0.063
Echinococcus granulosus sterol regulatory element binding protein 0.0037 0.0062 0.0062
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Toxoplasma gondii methionine aminopeptidase 0.1011 0.808 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0093 0.0521 0.0645
Brugia malayi hypothetical protein 0.0114 0.0696 0.0861
Echinococcus granulosus expressed conserved protein 0.0081 0.0424 0.0424
Entamoeba histolytica aminopeptidase, putative 0.0106 0.063 1
Echinococcus granulosus Protein patched homolog 1 0.0037 0.0062 0.0062
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0086 0.0466 0.7335
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.063 0.0779
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0214 0.0214
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0838 0.6654 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0838 0.6654 1
Mycobacterium ulcerans methionine aminopeptidase 0.0838 0.6654 1
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0114 0.0696 0.0861
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0061 0.0264 0.0264
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0106 0.063 0.063
Trypanosoma brucei methionine aminopeptidase, putative 0.1011 0.808 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0521 0.0645
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0061 0.0264 0.0264
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0838 0.6654 0.8085
Trypanosoma brucei Metallopeptidase family M24, putative 0.0106 0.063 0.0468
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Brugia malayi metallopeptidase family M24 containing protein 0.0106 0.063 0.0779
Schistosoma mansoni patched 1 0.0037 0.0062 0.0062
Echinococcus multilocularis Proliferation associated protein 2G4 0.0106 0.063 0.063
Brugia malayi Methionine aminopeptidase protein type I 0.1011 0.808 1
Plasmodium falciparum HP12 protein homolog, putative 0.0173 0.1185 0.0746
Echinococcus granulosus xaa Pro dipeptidase 0.0106 0.063 0.063
Loa Loa (eye worm) hypothetical protein 0.0106 0.063 0.0779
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0106 0.063 0.0468
Echinococcus multilocularis Niemann Pick C1 protein 0.0123 0.077 0.077
Echinococcus granulosus FACT complex subunit SPT16 0.0106 0.063 0.063
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0106 0.063 0.0468
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0106 0.063 0.063
Echinococcus granulosus Niemann Pick C1 protein 0.0123 0.077 0.077
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.1011 0.808 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0696 0.0861
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.1011 0.808 0.808
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Echinococcus granulosus Proliferation associated protein 2G4 0.0106 0.063 0.063
Loa Loa (eye worm) DNA-binding protein 0.0106 0.063 0.0779
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.1011 0.808 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0061 0.0264 0.0326
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0061 0.0264 0.0326
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0838 0.6654 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0086 0.0466 0.0577
Schistosoma mansoni hypothetical protein 0.0036 0.0051 0.0051
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0037 0.0062 0.0077
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0093 0.0521 0.0645
Echinococcus granulosus Niemann Pick C1 protein 0.0086 0.0466 0.0466
Echinococcus multilocularis methionyl aminopeptidase 2 0.0106 0.063 0.063
Entamoeba histolytica methionine aminopeptidase, putative 0.0106 0.063 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0109 0.0109
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0106 0.063 0.063
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0106 0.063 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0109 0.0109
Brugia malayi RNA binding protein 0.0055 0.0214 0.0265
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0106 0.063 0.063
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0106 0.063 0.0468
Echinococcus multilocularis neuropeptide s receptor 0.0432 0.3316 0.3316
Echinococcus multilocularis Niemann Pick C1 protein 0.0086 0.0466 0.0466
Leishmania major transcription factor-like protein 0.0106 0.063 0.0468
Leishmania major hypothetical protein, conserved 0.0173 0.1185 0.1179
Echinococcus multilocularis methionine aminopeptidase, type I 0.0106 0.063 0.063
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.0017 0.0017
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1
Echinococcus granulosus methionyl aminopeptidase 2 0.0106 0.063 0.063
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0109 0.0109
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0061 0.0264 0.0264
Schistosoma mansoni peptidase 0.0106 0.063 0.063
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0106 0.063 1

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 100 % The initial growth rate of cells in the presence of the compound at the screen concentration 100 mM in leukemic cells (L1210) of mice ChEMBL. 9057863
Control (functional) = 100 % The initial growth rate of cells in the presence of the compound at the screen concentration 100 mM in human epidermoid carcinoma cells (H.Ep.2) ChEMBL. 9057863
Control (functional) = 100 % The initial growth rate of cells in the presence of the compound at the screen concentration 100 mM in leukemic cells (L1210) of mice ChEMBL. 9057863
Control (functional) = 100 % The initial growth rate of cells in the presence of the compound at the screen concentration 100 mM in human epidermoid carcinoma cells (H.Ep.2) ChEMBL. 9057863
IC50 (functional) e 0 mM Concentration of the compound required to decrease the growth rate to 50% of control; cell proliferation was not slowed down at screen concentration 100 mM ChEMBL. 9057863
IC50 (functional) e 0 mM The concentration of the compound required to decrease the estimate of the minimum fraction of leukemic cells (L1210) of mice that survived treatment to 50%; cell proliferation was not slowed down at screen concentration 100 mM ChEMBL. 9057863
IC50 (functional) e 0 mM Concentration of the compound required to decrease the growth rate to 50% of control on H.Ep.2 cells; cell proliferation was not slowed at the screen concentration 100 mM ChEMBL. 9057863
IC50 (functional) e 0 mM The concentration of the compound required to decrease the estimate of the minimum fraction of human epidermoid carcinoma cells that survived treatment to 50% (H.Ep.2); cell proliferation was not slowed down at screen concentration 100 mM ChEMBL. 9057863

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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