Detailed information for compound 73191

Basic information

Technical information
  • TDR Targets ID: 73191
  • Name: 4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl) pyrrolo[2,3-d]pyrimidine-5-carboxamide
  • MW: 281.268 | Formula: C11H15N5O4
  • H donors: 4 H acceptors: 5 LogP: -2.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(OCn1cc(c2c1ncnc2N)C(=O)N)CO
  • InChi: 1S/C11H15N5O4/c12-9-8-7(10(13)19)1-16(11(8)15-4-14-9)5-20-6(2-17)3-18/h1,4,6,17-18H,2-3,5H2,(H2,13,19)(H2,12,14,15)
  • InChiKey: MBEDXJIXQVXSPE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
  • 4-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-pyrrolo[2,3-d]pyrimidinecarboxamide
  • 4-azanyl-7-(1,3-dihydroxypropan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
  • 4-amino-7-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
  • 4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)pyrrolo[5,4-d]pyrimidine-5-carboxamide
  • 4-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrrolo[5,4-d]pyrimidine-5-carboxamide
  • 4-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-pyrrolo[5,4-d]pyrimidinecarboxamide
  • 4-amino-7-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrrolo[5,4-d]pyrimidine-5-carboxamide
  • 118043-70-2
  • AIDS001876
  • 4-Amino-5-(aminocarbonyl)-7-[(1,3-dihydroxy-2-propoxy)methyl]pyrrolo[2,3-d]-pyrimidine
  • 7-NH2CO-7-deaza-acycloA
  • 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-
  • AIDS-001876
  • 4-Amino-5-(aminocarbonyl)-7-((1,3-dihydroxy-2-propoxy)methyl)pyrrolo(2,3-d)-pyrimidine
  • 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-

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
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0774 0.2668 1
Schistosoma mansoni farnesyl pyrophosphate synthase 0.1547 1 1
Brugia malayi Polyprenyl synthetase family protein 0.0774 0.2668 0.2668
Leishmania major solanesyl-diphosphate synthase, putative 0.0774 0.2668 0.2668
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.1547 1 0.5
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0774 0.2668 1
Schistosoma mansoni trans-prenyltransferase 0.0774 0.2668 0.2668
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.1547 1 1
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0774 0.2668 0.2668
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0774 0.2668 0.2668
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1547 1 0.5
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0774 0.2668 0.2668
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.1547 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.1547 1 1
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0774 0.2668 0.2668
Trypanosoma brucei farnesyl pyrophosphate synthase 0.1547 1 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0493 0 0.5
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0774 0.2668 0.2668
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0774 0.2668 1
Treponema pallidum octaprenyl-diphosphate synthase 0.0493 0 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1547 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.1547 1 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.1547 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1547 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0774 0.2668 0.2668
Leishmania major farnesyl pyrophosphate synthase 0.1547 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.1547 1 1
Giardia lamblia Farnesyl diphosphate synthase 0.1547 1 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1547 1 0.5
Loa Loa (eye worm) polyprenyl synthetase 0.1547 1 1
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.1547 1 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0774 0.2668 0.5
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0774 0.2668 0.2668
Echinococcus granulosus farnesyl pyrophosphate synthase 0.1547 1 1

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 84 % Compound effect on the growth rate of L1210 murine leukemia cells at 10e-4 M concentration ChEMBL. 2913300
Control (functional) = 84 % Compound effect on the growth rate of L1210 murine leukemia cells at 10e-4 M concentration ChEMBL. 2913300
Cytotoxicity (functional) > 100 uM Cytotoxicity of compound in uninfected cells determined by examining the effect on growth of HFF cells ChEMBL. No reference
Cytotoxicity (functional) > 100 uM Cytotoxicity of compound in uninfected cells determined by examining the effect on growth of HFF cells ChEMBL. No reference
IC50 (ADMET) > 0.0001 M In vitro cytotoxicity was evaluated against the L1210 Murine leukemic cells ChEMBL. 2913300
IC50 (ADMET) > 0.0001 M In vitro cytotoxicity was evaluated against the L1210 Murine leukemic cells ChEMBL. 2913300
IC50 (functional) > 100 uM Antiviral activity of the compund was evaluated against the Herpes simplex virus type-1 in BSC-1 cells ChEMBL. 2913300
IC50 (ADMET) > 100 uM Cytotoxicity of the compound was evaluated against the Monkey kidney cells (BSC) ChEMBL. 2913300
IC50 (functional) > 100 uM In vitro inhibition of human cytomegalovirus in HFF cells by plaque reduction assay. ChEMBL. No reference
IC50 (functional) > 100 uM In vitro inhibition of human cytomegalovirus in HFF cells by plaque reduction assay. ChEMBL. No reference
IC50 (functional) = 144 uM Antiviral activity of the compund was evaluated against the Human cytomegalo virus (HCMV) ChEMBL. 2913300
IC50 (functional) > 200 uM Inhibitory activity against HIV in Alex cells ChEMBL. 2165163
IC50 (ADMET) > 320 uM Cytotoxicity of the compound was evaluated against the Human diploid cells (HFF) ChEMBL. 2913300

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

2 literature references were collected for this gene.

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