Detailed information for compound 922371

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 502.625 | Formula: C29H30N2O4S
  • H donors: 3 H acceptors: 3 LogP: 4.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1cc2c(s1)cccc2)N[C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O
  • InChi: 1S/C29H30N2O4S/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)36-22)26-28(29,24(18)25(20)35-26)11-12-31(23)15-16-5-6-16/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33)/t19-,23-,26+,28+,29-/m1/s1
  • InChiKey: RMBOAPKGNMIISA-CBSYONAGSA-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
Treponema pallidum elongation factor Tu 0.0008 0.0301 0.5
Plasmodium vivax elongation factor Tu, mitochondrial precursor, putative 0.0008 0.0301 0.0301
Trichomonas vaginalis sulfate adenylyltransferase subunit, putative 0.0008 0.0301 0.0301
Schistosoma mansoni elongation factor tu (ef-tu) 0.0008 0.0301 0.0301
Echinococcus multilocularis elongation factor 1 alpha 0.0045 1 1
Echinococcus granulosus elongation factor 1 alpha 0.0045 1 1
Mycobacterium leprae PROBABLE IRON-REGULATED ELONGATION FACTOR TU TUF (EF-TU) 0.0008 0.0301 0.5
Trichomonas vaginalis elongation factor 1-alpha, putative 0.0043 0.9691 0.9691
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0045 0.9991 0.9991
Leishmania major elongation factor 1-alpha 0.0045 1 1
Leishmania major elongation factor 1-alpha 0.0045 1 1
Loa Loa (eye worm) elongation factor Tu1 0.0008 0.0301 0.0301
Schistosoma mansoni hypothetical protein 0.0008 0.0301 0.0301
Leishmania major elongation factor 1-alpha 0.0045 1 1
Onchocerca volvulus 0.0045 1 0.5
Giardia lamblia Elongation factor 1-alpha 0.0045 1 1
Echinococcus multilocularis g1 to s phase transition protein 0.0008 0.0301 0.0301
Leishmania major elongation factor 1-alpha 0.0045 1 1
Giardia lamblia Elongation factor 1-alpha 0.0045 1 1
Echinococcus multilocularis elongation factor tu (ef tu) 0.0008 0.0301 0.0301
Wolbachia endosymbiont of Brugia malayi elongation factor Tu 0.0008 0.0301 0.5
Plasmodium falciparum elongation factor Tu, putative 0.0008 0.0301 0.0301
Trypanosoma brucei EF-1-alpha 0.0008 0.0301 0.0301
Leishmania major elongation factor 1-alpha 0.0045 1 1
Schistosoma mansoni elongation factor tu (ef-tu) 0.0008 0.0301 0.0301
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0045 1 1
Onchocerca volvulus 0.0045 1 0.5
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0045 1 1
Loa Loa (eye worm) elongation factor 1-alpha 0.0045 1 1
Plasmodium falciparum elongation factor 1-alpha 0.0045 1 1
Trichomonas vaginalis elongation factor 1-alpha, putative 0.0045 1 1
Trypanosoma brucei elongation factor 1-alpha 0.0045 1 1
Toxoplasma gondii elongation factor 1-alpha (EF-1-ALPHA), putative 0.0045 1 1
Loa Loa (eye worm) eukaryotic translation elongation factor 1A 0.0045 1 1
Wolbachia endosymbiont of Brugia malayi elongation factor Tu 0.0008 0.0301 0.5
Entamoeba histolytica elongation factor 1-alpha 1 0.0045 1 1
Toxoplasma gondii elongation factor tu, apicoplast, putative 0.0008 0.0301 0.0301
Toxoplasma gondii elongation factor 1-alpha (EF-1-ALPHA), putative 0.0045 1 1
Trypanosoma brucei elongation factor 1-alpha 0.0045 1 1
Echinococcus granulosus elongation factor tu ef tu 0.0008 0.0301 0.0301
Trypanosoma brucei elongation factor 1-alpha 0.0045 1 1
Leishmania major elongation factor 1-alpha 0.0045 1 1
Entamoeba histolytica elongation factor 1-alpha 1 0.0045 1 1
Loa Loa (eye worm) elongation factor Tu domain-containing protein 0.0008 0.0301 0.0301
Schistosoma mansoni elongation factor 1-alpha (ef-1-alpha) 0.0008 0.0292 0.0292
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0045 1 1
Echinococcus granulosus g1 to s phase transition protein 0.0008 0.0301 0.0301
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0045 1 1
Schistosoma mansoni elongation factor 1-alpha (ef-1-alpha) 0.0045 1 1
Mycobacterium ulcerans elongation factor Tu 0.0008 0.0301 0.5
Leishmania major elongation factor 1-alpha 0.0045 1 1
Trichomonas vaginalis translation factor, putative 0.0045 1 1
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0045 1 1
Entamoeba histolytica elongation factor 1-alpha 1 0.0045 1 1
Leishmania major elongation factor Tu, putative 0.0008 0.0301 0.0301
Brugia malayi elongation factor 1-alpha (EF-1-alpha) 0.0045 1 1
Plasmodium falciparum elongation factor Tu 0.0008 0.0301 0.0301
Chlamydia trachomatis elongation factor Tu 0.0008 0.0301 0.5
Toxoplasma gondii elongation factor Tu, putative 0.0008 0.0301 0.0301
Plasmodium falciparum elongation factor 1-alpha 0.0045 1 1
Brugia malayi elongation factor Tu homologue precursor 0.0008 0.0301 0.0301
Brugia malayi Elongation factor Tu C-terminal domain containing protein 0.0008 0.0301 0.0301
Trichomonas vaginalis translation factor, putative 0.0045 0.9991 0.9991
Plasmodium vivax elongation factor 1-alpha, putative 0.0045 1 1
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0045 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Agonist activity at human delta opioid receptor expressed in HEK293 cells assessed as induction of intracellular calcium release by FLIPR assay ChEMBL. 24978316
Activity (functional) Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as induction of intracellular calcium release by FLIPR assay ChEMBL. 24978316
Activity (binding) Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as induction of intracellular calcium release by FLIPR assay ChEMBL. 24978316
Time (functional) = 20 min Antinociceptive effect in intrathecally dosed ICR-CD1 mouse assessed as peak time for antinociceptive effect by tail flick test ChEMBL. 24978316

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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