Detailed information for compound 89851

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 252.227 | Formula: C10H12N4O4
  • H donors: 4 H acceptors: 6 LogP: -1.89 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1n[nH]c2c1ncnc2
  • InChi: 1S/C10H12N4O4/c15-2-5-8(16)9(17)10(18-5)7-6-4(13-14-7)1-11-3-12-6/h1,3,5,8-10,15-17H,2H2,(H,13,14)/t5-,8-,9-,10+/m1/s1
  • InChiKey: OGBPXKPYHVPAOL-KBHCAIDQSA-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
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 falciparum 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
Schistosoma mansoni adenosine deaminase-related Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania major 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
Treponema pallidum 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
Plasmodium yoelii 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
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania mexicana adenine aminohydrolase 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
Leishmania braziliensis adenine 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
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
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
Leishmania infantum adenine aminohydrolase 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
Plasmodium vivax 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 berghei adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Neospora caninum adenosine/AMP deaminase domain containing protein, putative 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
Candida albicans similar to S. cerevisiae AAH1 (YNL141W) 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
Leishmania donovani adenine aminohydrolase 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
Loa Loa (eye worm) hypothetical protein 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
Entamoeba histolytica adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma mansoni 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

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
Schistosoma mansoni adenosine deaminase 0.0104 0.2696 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0114 0.35 1
Mycobacterium ulcerans adenosine deaminase 0.0104 0.2696 0.5
Schistosoma mansoni adenosine deaminase-related 0.0104 0.2696 1
Echinococcus multilocularis adenosine deaminase 0.0104 0.2696 0.0347
Loa Loa (eye worm) hypothetical protein 0.0104 0.2696 0.7702
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0195 1 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0114 0.35 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0114 0.35 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0104 0.2696 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0114 0.35 1
Onchocerca volvulus Adenosine deaminase homolog 0.0104 0.2696 0.5
Brugia malayi Adenosine/AMP deaminase family protein 0.0104 0.2696 0.2458
Brugia malayi Bm-MIF-1, identical 0.0114 0.35 1
Loa Loa (eye worm) hyaluronidase 0.01 0.2433 0.6953
Treponema pallidum adenosine deaminase 0.0104 0.2696 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0114 0.35 1
Echinococcus granulosus adenosine deaminase 0.0104 0.2696 0.0347
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0114 0.35 1
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0104 0.2696 0.5
Plasmodium falciparum macrophage migration inhibitory factor 0.0114 0.35 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0114 0.35 1
Giardia lamblia Macrophage migration inhibitory factor 0.0114 0.35 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.35 1

Activities

Activity type Activity value Assay description Source Reference
(binding) 0 Compound was tested for inhibition of Adenylate deaminase (AMPDA) in rabbit muscle Starlite. 10450967
(binding) 0 Compound was tested for inhibition of Adenylate deaminase (AMPDA) in pea enzyme Starlite. 10450967
(binding) 0 Compound was tested for inhibition of Adenylate deaminase deaminase (AMPDA) in rabbit muscle Starlite. 10450967
ATP level (functional) = 423 nM (g frozen weight)-1 Amount of ATP was determined using a luciferase based assay after 4 hours Starlite. 10450967
ATP level (functional) = 450 nM (g frozen weight)-1 Amount of ATP was determined using a luciferase based assay after 4 hours Starlite. 10450967
ATP level (functional) = 693 nM (g frozen weight)-1 Amount of ATP was determined using a luciferase based assay after 24 hours Starlite. 10450967
IC50 (binding) = 70 nM Compound was tested for inhibition of adenosine 5'-monophosphate deaminase (AMPDA) in rabbit muscle Starlite. 10450967
IC50 (binding) = 100 nM Compound was tested for inhibition of adenosine 5'-monophosphate deaminase (AMPDA) in pea enzyme Starlite. 10450967
IC50 (binding) = 5 uM Inhibition of Bos taurus (calf) intestinal mucosa adenylate deaminase ChEMBL. 10450967
Km (binding) = 35 uM Binding affinity to Bos taurus (calf) intestinal mucosa adenylate deaminase ChEMBL. 10450967

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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