Detailed information for compound 880185

Basic information

Technical information
  • TDR Targets ID: 880185
  • Name: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxoet hyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutan oate
  • MW: 464.553 | Formula: C27H32N2O5
  • H donors: 1 H acceptors: 4 LogP: 5.34 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(cccc1C(C)C)C(C)C)COC(=O)C(N1C(=O)c2c(C1=O)cccc2)C(C)C
  • InChi: 1S/C27H32N2O5/c1-15(2)18-12-9-13-19(16(3)4)23(18)28-22(30)14-34-27(33)24(17(5)6)29-25(31)20-10-7-8-11-21(20)26(29)32/h7-13,15-17,24H,14H2,1-6H3,(H,28,30)
  • InChiKey: ANZZJDVPNVDVBJ-UHFFFAOYSA-N  

Network

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Synonyms

  • [2-[(2,6-diisopropylphenyl)amino]-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate
  • 2-(1,3-dioxo-2-isoindolinyl)-3-methylbutanoic acid [2-[(2,6-diisopropylphenyl)amino]-2-oxoethyl] ester
  • 2-(1,3-diketoisoindolin-2-yl)-3-methyl-butyric acid [2-[(2,6-diisopropylphenyl)amino]-2-keto-ethyl] ester
  • [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxo-ethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methyl-butanoate
  • ST5202486

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
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.5243 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.5243 1 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.5243 1 0.5
Entamoeba histolytica adenosine deaminase, putative 0.5243 1 1
Loa Loa (eye worm) hypothetical protein 0.198 0.364 0.3279
Trypanosoma cruzi AMP deaminase, putative 0.2707 0.5057 1
Loa Loa (eye worm) hypothetical protein 0.5243 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.0024 0.0024
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.2707 0.5057 1
Schistosoma mansoni calcium-activated potassium channel 0.127 0.2257 0.219
Trypanosoma cruzi AMP deaminase, putative 0.2707 0.5057 1
Echinococcus multilocularis AMP deaminase 2 0.2707 0.5057 0.4242
Schistosoma mansoni adenosine deaminase-related 0.5243 1 1
Loa Loa (eye worm) hypothetical protein 0.3264 0.6142 0.5923
Schistosoma mansoni calcium-activated potassium channel 0.0819 0.1379 0.1304
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.5243 1 1
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.2707 0.5057 0.5
Onchocerca volvulus AMP deaminase 2 homolog 0.2707 0.5057 0.2228
Leishmania major AMP deaminase, putative 0.2707 0.5057 0.2228
Loa Loa (eye worm) hypothetical protein 0.3264 0.6142 0.5923
Plasmodium falciparum adenosine deaminase 0.5243 1 1
Mycobacterium ulcerans adenosine deaminase 0.5243 1 0.5
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.2707 0.5057 0.2228
Treponema pallidum adenosine deaminase 0.5243 1 0.5
Loa Loa (eye worm) hypothetical protein 0.3264 0.6142 0.5923
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.5243 1 1
Echinococcus granulosus AMP deaminase 2 0.2707 0.5057 0.3616
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.0024 0.0024
Onchocerca volvulus Adenosine deaminase homolog 0.5243 1 1
Trypanosoma brucei AMP deaminase, putative 0.2707 0.5057 0.5
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.2707 0.5057 1
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.2707 0.5057 0.2228
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.0024 0.0024
Trypanosoma brucei AMP deaminase, putative 0.2707 0.5057 0.5
Plasmodium vivax adenosine deaminase, putative 0.5243 1 1
Trypanosoma brucei AMP deaminase, putative 0.2707 0.5057 0.5
Trypanosoma cruzi AMP deaminase, putative 0.2707 0.5057 1
Echinococcus multilocularis small conductance calcium activated potassium 0.127 0.2257 0.098
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.2707 0.5057 0.2228
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.0024 0.0024
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.5243 1 1
Trypanosoma cruzi AMP deaminase, putative 0.2707 0.5057 1
Loa Loa (eye worm) AMP deaminase 0.2707 0.5057 0.4776
Schistosoma mansoni hypothetical protein 0.127 0.2257 0.219
Entamoeba histolytica adenosine deaminase, putative 0.5243 1 1
Loa Loa (eye worm) hypothetical protein 0.0432 0.0624 0.0091
Echinococcus multilocularis adenosine deaminase 0.5243 1 1
Schistosoma mansoni AMP deaminase 0.2707 0.5057 0.5014
Loa Loa (eye worm) hypothetical protein 0.0408 0.0579 0.0043
Echinococcus granulosus adenosine deaminase 0.5243 1 1
Trypanosoma cruzi AMP deaminase, putative 0.2707 0.5057 1
Loa Loa (eye worm) hypothetical protein 0.127 0.2257 0.1817
Leishmania major adenine aminohydrolase 0.5243 1 1
Loa Loa (eye worm) hypothetical protein 0.3264 0.6142 0.5923
Loa Loa (eye worm) hypothetical protein 0.0727 0.12 0.0699
Schistosoma mansoni adenosine deaminase 0.5243 1 1

Activities

No activities found for this compound.

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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