Detailed information for compound 1502512

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: CCCCCCCCC(=O)/C=C/CCCCCCC(=O)NCCc1ccc(c(c1)O)O
  • InChi: 1S/C26H41NO4/c1-2-3-4-5-8-11-14-23(28)15-12-9-6-7-10-13-16-26(31)27-20-19-22-17-18-24(29)25(30)21-22/h12,15,17-18,21,29-30H,2-11,13-14,16,19-20H2,1H3,(H,27,31)/b15-12+
  • InChiKey: OOZUXXZKYPAARR-NTCAYCPXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2 uM Antiinflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed as inhibition of NO production at 3.125 to 25 uM after 24 hrs by Griess method ChEMBL. 21257314
TC50 (ADMET) = 13 uM Cytotoxicity against mouse RAW264.7 cells after 24 hrs by MTT assay ChEMBL. 21257314

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 21257314

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.