Detailed information for compound 1502513

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.608 | Formula: C26H41NO4
  • H donors: 3 H acceptors: 4 LogP: 6.68 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCC/C=C/C(=O)CCCCCCCC(=O)NCCc1ccc(c(c1)O)O
  • InChi: 1S/C26H41NO4/c1-2-3-4-5-6-8-11-14-23(28)15-12-9-7-10-13-16-26(31)27-20-19-22-17-18-24(29)25(30)21-22/h11,14,17-18,21,29-30H,2-10,12-13,15-16,19-20H2,1H3,(H,27,31)/b14-11+
  • InChiKey: UAVMTKVMODCUCM-SDNWHVSQSA-N  

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
Trypanosoma cruzi polyprenyl synthase, putative 0.064 0.2324 0.1219
Schistosoma mansoni glutathione synthetase 0.0561 0.1785 0.1785
Leishmania major farnesyl pyrophosphate synthase 0.1765 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0484 0.1258 0.1258
Brugia malayi Polyprenyl synthetase family protein 0.0824 0.358 0.358
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0824 0.358 0.358
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0824 0.358 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.1765 1 1
Leishmania major solanesyl-diphosphate synthase, putative 0.0824 0.358 0.2656
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.1765 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0824 0.358 0.358
Treponema pallidum octaprenyl-diphosphate synthase 0.064 0.2324 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1765 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0484 0.1258 0.1258
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.064 0.2324 0.2324
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.1765 1 0.5
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.1765 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0824 0.358 0.358
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.064 0.2324 0.2324
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0484 0.1258 0.1258
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0484 0.1258 0.1258
Leishmania major polyprenyl synthase, putative 0.064 0.2324 0.1219
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0824 0.358 0.2656
Schistosoma mansoni trans-prenyltransferase 0.0824 0.358 0.358
Loa Loa (eye worm) polyprenyl synthetase 0.1765 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.1765 1 1
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.064 0.2324 0.2324
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0484 0.1258 0.1258
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.1765 1 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0824 0.358 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0824 0.358 0.5
Loa Loa (eye worm) hypothetical protein 0.0879 0.3955 0.3955
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0561 0.1785 0.1785
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.064 0.2324 0.2324
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0824 0.358 0.2656
Echinococcus multilocularis carbonic anhydrase II 0.0484 0.1258 0.1258
Schistosoma mansoni farnesyl pyrophosphate synthase 0.1765 1 1
Trypanosoma cruzi polyprenyl synthase, putative 0.064 0.2324 0.1219
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0824 0.358 0.358
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0824 0.358 0.358
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0484 0.1258 0.1258
Echinococcus granulosus carbonic anhydrase II 0.0484 0.1258 0.1258
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0824 0.358 0.2656
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0561 0.1785 0.5
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0824 0.358 0.2656
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0824 0.358 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1765 1 1
Giardia lamblia Farnesyl diphosphate synthase 0.1765 1 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.1765 1 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.064 0.2324 0.2324
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.1765 1 1
Brugia malayi hypothetical protein 0.0565 0.1815 0.1815
Echinococcus granulosus farnesyl pyrophosphate synthase 0.1765 1 1
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0561 0.1785 0.1785
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0824 0.358 0.2185
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.1765 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1765 1 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1765 1 0.5

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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