Detailed information for compound 1611155

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 258.231 | Formula: C9H14N4O5
  • H donors: 4 H acceptors: 5 LogP: -3.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CN1C(=O)C[C@@H](C1=O)NC(=O)[C@@H](N)C
  • InChi: 1S/C9H14N4O5/c1-4(10)8(16)11-5-2-7(15)13(9(5)17)3-6(14)12-18/h4-5,18H,2-3,10H2,1H3,(H,11,16)(H,12,14)/t4-,5-/m0/s1
  • InChiKey: IEUZIIJSPWHYNH-WHFBIAKZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Leishmania major fatty-acid desaturase, putative 0.2229 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0183 0.005 0.005
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0201 0.0137 0.0137
Entamoeba histolytica hypothetical protein 0.0477 0.1482 0.6931
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.06 0.2077 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0582 0.1991 0.9555
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0172 0 0.5
Mycobacterium tuberculosis Probable conserved membrane protein 0.0172 0 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0412 0.1164 0.5294
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0388 0.105 0.5054
Onchocerca volvulus 0.2229 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0201 0.0137 0.0658
Mycobacterium ulcerans hypothetical protein 0.0172 0 0.5
Brugia malayi acyl-CoA desaturase 0.2057 0.9161 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0477 0.1482 0.1617
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0172 0 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0201 0.0137 0.0149
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.06 0.2077 0.2077
Trypanosoma cruzi fatty acid desaturase, putative 0.2229 1 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0172 0 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0201 0.0137 0.0137
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.06 0.2077 1
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0172 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0388 0.105 0.1146
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0172 0 0.5
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.06 0.2077 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.06 0.2077 1
Loa Loa (eye worm) acyl-CoA desaturase 0.2057 0.9161 1
Trypanosoma cruzi fatty acid desaturase, putative 0.2057 0.9161 0.9161
Trypanosoma brucei fatty acid desaturase, putative 0.2229 1 1
Plasmodium falciparum stearoyl-CoA desaturase 0.2057 0.9161 0.5
Onchocerca volvulus 0.2229 1 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.0189 0.0206
Mycobacterium ulcerans hypothetical protein 0.0172 0 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0266 0.0454 0.1637
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.06 0.2077 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.06 0.2077 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0412 0.1164 0.5294
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.06 0.2077 0.2267
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0172 0 0.5
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0289 0.0569 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0477 0.1482 0.6931
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.2057 0.9161 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.06 0.2077 0.2077
Trypanosoma cruzi fatty acid desaturase, putative 0.2057 0.9161 0.9161
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0388 0.105 0.1146
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0172 0 0.5
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0388 0.105 0.5054
Mycobacterium ulcerans electron transfer protein FdxB 0.0172 0 0.5
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.06 0.2077 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0183 0.005 0.0055

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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