Detailed information for compound 1846983

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 266.253 | Formula: C11H14N4O4
  • H donors: 4 H acceptors: 5 LogP: -0.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nccc2NO
  • InChi: 1S/C11H14N4O4/c16-4-8-7(17)3-9(19-8)15-5-13-10-6(14-18)1-2-12-11(10)15/h1-2,5,7-9,16-18H,3-4H2,(H,12,14)/t7-,8+,9+/m0/s1
  • InChiKey: BCFAFTDKZDGITI-DJLDLDEBSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Adenosine deaminase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum adenosine/AMP deaminase domain containing protein, putative Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania mexicana adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein Get druggable targets OG5_127245 All targets in OG5_127245
Babesia bovis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Trichomonas vaginalis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) Get druggable targets OG5_127245 All targets in OG5_127245
Candida albicans similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania braziliensis adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Trichomonas vaginalis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania major adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma mansoni adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Echinococcus granulosus adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Treponema pallidum adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma japonicum ko:K01488 adenosine deaminase [EC3.5.4.4], putative Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium falciparum adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) Get druggable targets OG5_127245 All targets in OG5_127245
Onchocerca volvulus Adenosine deaminase homolog Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium yoelii adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Entamoeba histolytica adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma japonicum ko:K01488 adenosine deaminase [EC3.5.4.4], putative Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma mansoni adenosine deaminase-related Get druggable targets OG5_127245 All targets in OG5_127245
Neospora caninum Adenosine deaminase (EC 3.5.4.4), related Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium berghei adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Entamoeba histolytica adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium ulcerans adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium knowlesi adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania infantum adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium vivax adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Brugia malayi Adenosine/AMP deaminase family protein Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Candida albicans similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania donovani adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Echinococcus multilocularis adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein Get druggable targets OG5_127245 All targets in OG5_127245

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum adenosine deaminase-related growth factor Adenosine deaminase   363 aa 299 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus neuroligin 0.0148 0.0686 0.0686
Brugia malayi Carboxylesterase family protein 0.0878 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0148 0.0686 1
Schistosoma mansoni adenosine deaminase-related 0.0104 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0104 0.0116 0.0116
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0148 0.0686 0.0686
Plasmodium vivax adenosine deaminase, putative 0.0104 0.0116 0.5
Brugia malayi hypothetical protein 0.0148 0.0686 0.0686
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0104 0.0116 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0148 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0878 1 1
Brugia malayi Carboxylesterase family protein 0.0148 0.0686 0.0686
Echinococcus granulosus acetylcholinesterase 0.0878 1 1
Echinococcus multilocularis neuroligin 0.0148 0.0686 0.0686
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0148 0.0686 0.0686
Echinococcus granulosus BC026374 protein S09 family 0.0148 0.0686 0.0686
Schistosoma mansoni neuroligin 3 (S09 family) 0.0148 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0148 0.0686 0.0686
Echinococcus multilocularis adenosine deaminase 0.0104 0.0116 0.0116
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0104 0.0116 0.5
Schistosoma mansoni acetylcholinesterase 0.0148 0.0686 0.0686
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0878 1 1
Loa Loa (eye worm) carboxylesterase 0.0148 0.0686 0.0686
Schistosoma mansoni gliotactin 0.0148 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0148 0.0686 0.0686
Plasmodium falciparum adenosine deaminase 0.0104 0.0116 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0148 0.0686 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0104 0.0116 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0148 0.0686 0.0686
Onchocerca volvulus 0.0148 0.0686 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0686 0.0686
Echinococcus multilocularis acetylcholinesterase 0.0878 1 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0686 0.0686
Echinococcus granulosus carboxylesterase 5A 0.0878 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0148 0.0686 0.0686
Onchocerca volvulus 0.0148 0.0686 1
Leishmania major adenine aminohydrolase 0.0104 0.0116 0.5
Onchocerca volvulus 0.0148 0.0686 1
Echinococcus multilocularis carboxylesterase 5A 0.0878 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0148 0.0686 1
Brugia malayi Adenosine/AMP deaminase family protein 0.0104 0.0116 0.0116
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0148 0.0686 0.0686
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.0116 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0878 1 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0686 0.0686
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0148 0.0686 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0686 0.0686
Onchocerca volvulus 0.0148 0.0686 1
Brugia malayi Carboxylesterase family protein 0.0148 0.0686 0.0686
Treponema pallidum adenosine deaminase 0.0104 0.0116 0.5
Loa Loa (eye worm) hypothetical protein 0.0878 1 1
Loa Loa (eye worm) carboxylesterase 0.0878 1 1
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.0116 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0148 0.0686 0.0686
Onchocerca volvulus Adenosine deaminase homolog 0.0104 0.0116 0.1696
Mycobacterium tuberculosis Carboxylesterase LipT 0.0148 0.0686 1
Onchocerca volvulus 0.0148 0.0686 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0686 0.0686
Echinococcus granulosus acetylcholinesterase 0.0878 1 1
Brugia malayi Carboxylesterase family protein 0.0148 0.0686 0.0686
Brugia malayi Carboxylesterase family protein 0.0148 0.0686 0.0686
Loa Loa (eye worm) carboxylesterase 0.0148 0.0686 0.0686
Echinococcus multilocularis acetylcholinesterase 0.0878 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0148 0.0686 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0148 0.0686 0.0686
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0148 0.0686 0.0686
Echinococcus granulosus adenosine deaminase 0.0104 0.0116 0.0116
Schistosoma mansoni adenosine deaminase 0.0104 0.0116 0.0116

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 67.6 uM Compound was tested for its antitumor activity to inhibit 50% of tumor cell growth in mouse leukemia P388 cell lines. ChEMBL. 2066996
ID50 (functional) > 100 uM Compound was tested for its antitumor activity to inhibit 50% of tumor cell growth in mouse leukemia L1210 cell lines. ChEMBL. 2066996
Ki (binding) = 0.00000027 M Compound was tested for the inhibition of Adenosine deaminase from calf intestine. ChEMBL. 2066996

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

No literature references available for this target.

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