Detailed information for compound 106174

Basic information

Technical information
  • TDR Targets ID: 106174
  • Name: 2-[[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7- yl]methoxy]ethanol
  • MW: 222.244 | Formula: C10H14N4O2
  • H donors: 2 H acceptors: 3 LogP: 0.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1ncnc2c1ccn2COCCO
  • InChi: 1S/C10H14N4O2/c1-11-9-8-2-3-14(7-16-5-4-15)10(8)13-6-12-9/h2-3,6,15H,4-5,7H2,1H3,(H,11,12,13)
  • InChiKey: QMAROUMNVHNVMO-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[4-(methylamino)-7-pyrrolo[2,3-d]pyrimidinyl]methoxy]ethanol
  • 2-[(4-methylaminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
  • 2-[(4-methylamino-7-pyrrolo[2,3-d]pyrimidinyl)methoxy]ethanol
  • AIDS-212143
  • AIDS212143
  • Ethanol, 2-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]-

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
Trichomonas vaginalis glucosylceramidase, putative 0.4827 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.4827 1 1
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.4459 0.9208 1
Trichomonas vaginalis glucosylceramidase, putative 0.4827 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0176 0 0.5
Loa Loa (eye worm) ceramide glucosyltransferase 0.4459 0.9208 0.9208
Schistosoma mansoni bile acid beta-glucosidase-related 0.3891 0.7986 0.8673
Echinococcus multilocularis ceramide glucosyltransferase 0.4459 0.9208 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.1057 0.1894 0.2057
Trichomonas vaginalis glucosylceramidase, putative 0.3167 0.6431 0.6431
Echinococcus multilocularis bile acid beta glucosidase 0.3891 0.7986 0.8673
Brugia malayi Glycosyl hydrolases family 31 protein 0.1832 0.3561 0.3561
Trichomonas vaginalis glucosylceramidase, putative 0.4827 1 1
Leishmania major alpha glucosidase II subunit, putative 0.0176 0 0.5
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0176 0 0.5
Schistosoma mansoni alpha-glucosidase 0.1832 0.3561 0.3867
Echinococcus multilocularis non lysosomal glucosylceramidase 0.3891 0.7986 0.8673
Schistosoma mansoni ceramide glucosyltransferase 0.4459 0.9208 1
Trichomonas vaginalis glucosylceramidase, putative 0.3167 0.6431 0.6431
Trypanosoma cruzi hypothetical protein, conserved 0.0176 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2626 0.5268 0.5268
Schistosoma mansoni alpha-glucosidase 0.1832 0.3561 0.3867
Trichomonas vaginalis glucosylceramidase, putative 0.4827 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.3338 0.6798 0.6798
Trypanosoma brucei glucosidase, putative 0.0176 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.3167 0.6431 0.6431
Leishmania major glycosyl hydrolase-like protein 0.0176 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.3338 0.6798 0.6798
Echinococcus granulosus lysosomal alpha glucosidase 0.1832 0.3561 0.3867
Trichomonas vaginalis glucosylceramidase, putative 0.4827 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1832 0.3561 0.3867
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0176 0 0.5
Onchocerca volvulus Glucosylceramidase homolog 0.3167 0.6431 0.6985
Onchocerca volvulus 0.1231 0.2269 0.2464
Schistosoma mansoni bile acid beta-glucosidase-related 0.3891 0.7986 0.8673
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0176 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.3167 0.6431 0.6431
Echinococcus granulosus ceramide glucosyltransferase 0.4459 0.9208 1
Trichomonas vaginalis glucosylceramidase, putative 0.3167 0.6431 0.6431
Trypanosoma brucei glycosyl hydrolase-like protein 0.0176 0 0.5
Echinococcus granulosus non lysosomal glucosylceramidase 0.3891 0.7986 0.8673
Trichomonas vaginalis glucosylceramidase, putative 0.3167 0.6431 0.6431
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.4827 1 1
Echinococcus granulosus bile acid beta glucosidase 0.3891 0.7986 0.8673
Giardia lamblia Ceramide glucosyltransferase 0.2021 0.3967 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0176 0 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0176 0 0.5
Brugia malayi Ceramide glucosyltransferase 0.4459 0.9208 0.9208
Trichomonas vaginalis glucosylceramidase, putative 0.3167 0.6431 0.6431
Schistosoma mansoni ceramide glucosyltransferase 0.4459 0.9208 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1832 0.3561 0.3867
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1832 0.3561 0.3561
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0176 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Inhibitory concentration against human cytomegalovirus(HCMV) in plaque reduction assay ChEMBL. 2846837
IC50 (functional) > 100 uM Inhibitory concentration against HCMV in plaque reduction assay ChEMBL. 2846837
IC50 (functional) > 100 uM Cytotoxicity against uninfected human foreskin fibroblast(HFF cells) ChEMBL. 2846837
IC50 (functional) > 100 uM Cytotoxicity against uninfected monkey kidney cells (BSC-1) ChEMBL. 2846837
IC50 (functional) > 100 uM Cytotoxicity against uninfected human foreskin fibroblast(HFF cells) ChEMBL. 2846837
Inhibition (functional) > 100 % Cytotoxicity against human neoplastic cell line(KB cells) ChEMBL. 2846837

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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