Detailed information for compound 285733

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.464 | Formula: C23H27NO6
  • H donors: 2 H acceptors: 4 LogP: 4.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c(OCc2ccc(cc2OC)C(=O)O)ccc(c1O)C(=O)N1CCCC1
  • InChi: 1S/C23H27NO6/c1-3-6-17-19(10-9-18(21(17)25)22(26)24-11-4-5-12-24)30-14-16-8-7-15(23(27)28)13-20(16)29-2/h7-10,13,25H,3-6,11-12,14H2,1-2H3,(H,27,28)
  • InChiKey: YOGWTGLZPXTYNQ-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
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0279 0.0204 0.3201
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0204 0.0118 0.0566
Trichomonas vaginalis conserved hypothetical protein 0.0227 0.0144 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.3334 0.3742 1
Onchocerca volvulus Matrilysin homolog 0.0399 0.0343 1
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0279 0.0204 0.5313
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0278 0.0203 0.5273
Brugia malayi Matrixin family protein 0.018 0.0089 0.2321
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.3334 0.3742 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.8737 1 0.5
Brugia malayi Matrixin family protein 0.018 0.0089 0.2321
Loa Loa (eye worm) matrix metalloproteinase 0.018 0.0089 0.0344
Loa Loa (eye worm) hypothetical protein 0.018 0.0089 0.0344
Brugia malayi Hemopexin family protein 0.0255 0.0176 0.4584
Trypanosoma brucei Peptide deformylase 2 0.3334 0.3742 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0139 0.0042 0.0743
Trypanosoma cruzi Peptide deformylase 2, putative 0.3334 0.3742 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0204 0.0118 0.3057
Loa Loa (eye worm) matrixin family protein 0.0435 0.0385 0.2661
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0204 0.0118 0.0011
Echinococcus granulosus adam 17 protease 0.065 0.0634 0.9933
Loa Loa (eye worm) hypothetical protein 0.018 0.0089 0.0344
Schistosoma mansoni hypothetical protein 0.0255 0.0176 0.3116
Schistosoma mansoni glutamate receptor NMDA 0.0128 0.0029 0.0517
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0204 0.0118 0.3057
Trichomonas vaginalis Sialidase-1 precursor, putative 0.0227 0.0144 1
Loa Loa (eye worm) matrixin family protein 0.0399 0.0343 0.2334
Mycobacterium tuberculosis Possible exported protein 0.0489 0.0448 0.0317
Echinococcus multilocularis adam 17 protease 0.0591 0.0566 0.8863
Brugia malayi Matrixin family protein 0.018 0.0089 0.2321
Plasmodium falciparum peptide deformylase 0.8737 1 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0278 0.0203 0.0246
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0204 0.0118 0.0011
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0591 0.0566 1
Onchocerca volvulus 0.0255 0.0176 0.3431
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0654 0.0638 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.3334 0.3742 1
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0371 0.0311 0.4867
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0204 0.0118 0.5
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0204 0.0118 0.0566
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0654 0.0638 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0399 0.0343 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.8737 1 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0204 0.0118 0.1842
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0204 0.0118 0.1842
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0279 0.0204 0.3201
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0204 0.0118 0.0011
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.8737 1 1
Toxoplasma gondii hypothetical protein 0.8737 1 1
Treponema pallidum polypeptide deformylase (def) 0.8737 1 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0089 0.0344
Loa Loa (eye worm) hypothetical protein 0.1242 0.132 1
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0371 0.0311 0.4867
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0204 0.0118 0.2078
Leishmania major polypeptide deformylase-like protein, putative 0.3334 0.3742 1
Trypanosoma brucei Polypeptide deformylase 1 0.3334 0.3742 1
Brugia malayi Matrixin family protein 0.018 0.0089 0.2321
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0278 0.0203 0.0246
Loa Loa (eye worm) hypothetical protein 0.0219 0.0135 0.07
Leishmania major C-8 sterol isomerase-like protein 0.0278 0.0203 0.0235
Mycobacterium ulcerans peptide deformylase 0.8737 1 1
Plasmodium vivax peptide deformylase, putative 0.8737 1 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.0203 0.1235
Brugia malayi Matrixin family protein 0.0435 0.0385 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0219 0.0135 0.3501
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.018 0.0089 0.1578
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0279 0.0204 0.3612

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 37 % Inhibition of the leukotriene D4 (LTD4)-induced contraction of guinea pig tracheal spirals at 10 microM concentration ChEMBL. 2704027
Inhibition (functional) = 90 % Percent inhibition of the leukotriene D4 (LTD4)-induced contraction of guinea pig tracheal spirals at 50 microM concentration ChEMBL. 2704027

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

1 literature reference was collected for this gene.

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