Detailed information for compound 1122651

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 606.789 | Formula: C37H50O7
  • H donors: 0 H acceptors: 0 LogP: 8.77 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: C=CCO[C@@H]1[C@@H](COc2ccc(cc2)C2CCCCC2)O[C@@H]([C@@H]([C@H]1OCC=C)Oc1ccc(cc1)OC1CCCCC1)OC
  • InChi: 1S/C37H50O7/c1-4-24-39-34-33(26-41-29-18-16-28(17-19-29)27-12-8-6-9-13-27)44-37(38-3)36(35(34)40-25-5-2)43-32-22-20-31(21-23-32)42-30-14-10-7-11-15-30/h4-5,16-23,27,30,33-37H,1-2,6-15,24-26H2,3H3/t33-,34-,35+,36-,37+/m1/s1
  • InChiKey: SXFAZVLSZZRWMQ-MANRWTMFSA-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 brucei Peptide deformylase 2 0.6713 0.3472 0.5
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.1693 0.0459 0.2017
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.6713 0.3472 0.5
Plasmodium vivax peptide deformylase, putative 1.7591 1 0.5
Onchocerca volvulus Matrilysin homolog 0.2057 0.0678 1
Echinococcus multilocularis adam 17 protease 0.2698 0.1063 0.6856
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.1274 0.0208 0.268
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 1.7591 1 1
Toxoplasma gondii hypothetical protein 1.7591 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.6713 0.3472 0.5
Mycobacterium ulcerans peptide deformylase 1.7591 1 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.6713 0.3472 0.5
Loa Loa (eye worm) matrixin family protein 0.2057 0.0678 0.2382
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.3351 0.1454 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.2057 0.0678 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 1.7591 1 1
Trypanosoma brucei Polypeptide deformylase 1 0.6713 0.3472 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.3351 0.1454 1
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.1274 0.0208 0.1958
Brugia malayi Hemopexin family protein 0.1294 0.022 0.2836
Treponema pallidum polypeptide deformylase (def) 1.7591 1 0.5
Loa Loa (eye worm) matrixin family protein 0.2222 0.0777 0.2729
Brugia malayi Matrixin family protein 0.2222 0.0777 1
Leishmania major polypeptide deformylase-like protein, putative 0.6713 0.3472 0.5
Onchocerca volvulus 0.1294 0.022 0.325
Schistosoma mansoni hypothetical protein 0.1294 0.022 0.2073
Trypanosoma cruzi Peptide deformylase 2, putative 0.6713 0.3472 0.5
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.1693 0.0459 0.2017
Loa Loa (eye worm) hypothetical protein 0.1129 0.0121 0.0426
Echinococcus granulosus adam 17 protease 0.2967 0.1224 0.8151
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.2698 0.1063 1
Plasmodium falciparum peptide deformylase 1.7591 1 0.5
Mycobacterium tuberculosis Possible exported protein 0.1256 0.0197 0.0077
Loa Loa (eye worm) hypothetical protein 0.5669 0.2846 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.1129 0.0121 0.1561
Wolbachia endosymbiont of Brugia malayi peptide deformylase 1.7591 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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