Detailed information for compound 1472358

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 636.947 | Formula: C40H64N2O4
  • H donors: 3 H acceptors: 4 LogP: 9.94 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCC(=O)N1CCC[C@@H]1C(=O)NCCCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O
  • InChi: 1S/C40H64N2O4/c1-3-4-12-18-37(45)42-26-15-17-35(42)39(46)41-25-14-11-9-7-5-6-8-10-13-16-29-27-30-28-31(43)19-20-32(30)33-23-24-40(2)34(38(29)33)21-22-36(40)44/h19-20,28-29,33-36,38,43-44H,3-18,21-27H2,1-2H3,(H,41,46)/t29-,33-,34+,35-,36+,38-,40+/m1/s1
  • InChiKey: HSMMEGQKDITLGY-HUWVPMFXSA-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
Toxoplasma gondii hypothetical protein 0.005 0.0011 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0074 0.0191 0.1429
Brugia malayi nuclear hormone receptor 0.0526 0.3635 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0074 0.0191 0.1429
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0199 0.1142 0.1142
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0199 0.1142 0.8524
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0074 0.0191 0.1429
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0225 0.134 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0539 0.3734 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0074 0.0191 0.0527
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0312 0.2004 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0312 0.2004 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0312 0.2004 1
Loa Loa (eye worm) hypothetical protein 0.0514 0.3547 0.9758
Mycobacterium ulcerans hypothetical protein 0.0164 0.0879 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0164 0.0879 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0199 0.1142 0.3142
Schistosoma mansoni lipoxygenase 0.0157 0.0825 0.0825
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.0752 0.3643
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0074 0.0191 0.1429
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0199 0.1142 0.3142
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0225 0.134 1
Leishmania major mitochondrial DNA polymerase beta 0.0312 0.2004 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0074 0.0191 0.0527
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0074 0.0191 0.0191
Schistosoma mansoni lipoxygenase 0.0225 0.134 0.134
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0526 0.3635 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0199 0.1142 0.8524
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0247 0.1513 0.1513

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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