Detailed information for compound 1790641

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.64 | Formula: C26H45NO3
  • H donors: 1 H acceptors: 2 LogP: 9.5 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCC1=C(OC)C(=O)C=C(C1=O)NCCCCCC
  • InChi: 1S/C26H45NO3/c1-4-6-8-10-11-12-13-14-15-16-17-19-22-25(29)23(21-24(28)26(22)30-3)27-20-18-9-7-5-2/h21,27H,4-20H2,1-3H3
  • InChiKey: HEHAWXLQZXAQKG-UHFFFAOYSA-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
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2829 0.9828 0.9828
Mycobacterium leprae conserved hypothetical protein 0.0049 0 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2829 0.9828 0.9828
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0049 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0074 0.0089 0.0089
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.2829 0.9828 0.9828
Mycobacterium leprae probable isochorismate synthase EntC 0.0049 0 0.5
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0049 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1228 0.4169 0.4169
Loa Loa (eye worm) RNA binding protein 0.0074 0.0089 0.0089
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0049 0 0.5
Mycobacterium leprae Possible phosphoglycerate mutase 0.0049 0 0.5
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0049 0 0.5
Treponema pallidum phosphoglyceromutase 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.165 0.566 0.566
Brugia malayi RNA binding protein 0.0074 0.0089 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.2878 1 1
Toxoplasma gondii phosphoglycerate mutase family protein 0.0049 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0049 0 0.5
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0049 0 0.5
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0049 0 0.5
Mycobacterium ulcerans hypothetical protein 0.1698 0.5831 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0089 0.0089
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0 0.5
Schistosoma mansoni 6-phosphofructokinase 0.2878 1 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0 0.5
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1698 0.5831 1
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0089 0.0089
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0049 0 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1228 0.4169 0.4169
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0089 0.0089
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0089 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0049 0 0.5
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0049 0 0.5
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0049 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0049 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0049 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0049 0 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2878 1 1
Toxoplasma gondii phosphoglycerate mutase 0.0049 0 0.5
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1698 0.5831 1
Plasmodium vivax phosphoglucomutase-2, putative 0.0049 0 0.5
Brugia malayi TAR-binding protein 0.0074 0.0089 1
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0049 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0089 0.0089
Giardia lamblia Hypothetical protein 0.1698 0.5831 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0049 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0 0.5
Plasmodium falciparum phosphoglycerate mutase, putative 0.0049 0 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2878 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0942 0.3159 0.3159
Plasmodium vivax phosphoglycerate mutase, putative 0.0049 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2878 1 1
Onchocerca volvulus 0.2878 1 1
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0049 0 0.5
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0049 0 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1228 0.4169 0.4169
Trichomonas vaginalis conserved hypothetical protein 0.0049 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0089 1
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0049 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0089 0.0089
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2878 1 1
Giardia lamblia Hypothetical protein 0.1698 0.5831 0.5
Mycobacterium tuberculosis Conserved protein 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2878 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0089 0.0089
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.2829 0.9828 0.9828
Mycobacterium tuberculosis Conserved hypothetical protein 0.0049 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1228 0.4169 0.4169
Plasmodium falciparum phosphoglucomutase-2 0.0049 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2829 0.9828 0.9828

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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