Detailed information for compound 223222

Basic information

Technical information
  • TDR Targets ID: 223222
  • Name: 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-(hydr oxymethyl)oxolan-3-ol
  • MW: 250.254 | Formula: C11H14N4O3
  • H donors: 3 H acceptors: 4 LogP: -0.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(CC1O)n1cnc2c1nccc2N
  • InChi: 1S/C11H14N4O3/c12-6-1-2-13-11-10(6)14-5-15(11)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13)
  • InChiKey: NFSMISQRIPNDDE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • 5-(7-amino-3-imidazo[4,5-b]pyridinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol
  • 5-(7-azanylimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
  • 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-methylol-tetrahydrofuran-3-ol
  • 5-(7-aminoimidazo[5,4-b]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
  • 5-(7-aminoimidazo[5,4-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • 5-(7-amino-3-imidazo[5,4-b]pyridinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol
  • 5-(7-aminoimidazo[5,4-b]pyridin-3-yl)-2-methylol-tetrahydrofuran-3-ol
  • NCI60_028631
  • NSC680306

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
Echinococcus granulosus Msx-like 0.0262 0.945 0.945
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.1692 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.1692 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0041 0.0041
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0274 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0104 0.1692 0.5
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0274 1 1
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0274 1 1
Onchocerca volvulus Adenosine deaminase homolog 0.0104 0.1692 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0274 1 1
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0274 1 1
Echinococcus multilocularis homeobox 0.0262 0.945 0.945
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0274 1 1
Schistosoma mansoni adenosine deaminase-related 0.0104 0.1692 0.1692
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0274 1 1
Loa Loa (eye worm) hypothetical protein 0.0274 1 1
Echinococcus granulosus adenosine deaminase 0.0104 0.1692 0.1692
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0274 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0041 0.0041
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0274 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0104 0.1692 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.1692 0.1692
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0274 1 1
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0274 1 1
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0274 1 1
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0274 1 0.5
Brugia malayi Adenosine/AMP deaminase family protein 0.0104 0.1692 0.1692
Treponema pallidum lysophosphatidic acid acyltransferase 0.0274 1 1
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0274 1 1
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0274 1 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0041 0.0041
Mycobacterium tuberculosis Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri 0.0262 0.945 0.9338
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0274 1 1
Loa Loa (eye worm) hypothetical protein 0.0262 0.945 0.945
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0274 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0041 0.0041
Schistosoma mansoni transcription factor 0.0262 0.945 0.945
Loa Loa (eye worm) acyltransferase 0.0274 1 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0274 1 1
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0274 1 0.5
Schistosoma mansoni adenosine deaminase 0.0104 0.1692 0.1692
Echinococcus multilocularis adenosine deaminase 0.0104 0.1692 0.1692
Loa Loa (eye worm) hypothetical protein 0.0274 1 1
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0274 1 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 100 uM In vitro evaluation of anti-HIV-1 activity in C8166 cells infected with HIV-1 IIIB. ChEMBL. 7562937
Ki (binding) = 0.19 uM Inhibition calf intestine adenosine deaminase ChEMBL. 7562937
TC50 (ADMET) > 100 uM In vitro evaluation of cytotoxicity in C8166 cells infected with HIV-1 IIIB. ChEMBL. 7562937

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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