Detailed information for compound 1509704

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 575.675 | Formula: C31H33N3O6S
  • H donors: 1 H acceptors: 5 LogP: 3.2 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)[C@]1(Cc2ccccc2)N[C@@H]([C@H]2[C@@H]1C(=O)N(C2=O)C)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)CC
  • InChi: 1S/C31H33N3O6S/c1-4-34(41(38,39)24-17-15-23(16-18-24)22-13-9-6-10-14-22)20-25-26-27(29(36)33(2)28(26)35)31(32-25,30(37)40-3)19-21-11-7-5-8-12-21/h5-18,25-27,32H,4,19-20H2,1-3H3/t25-,26+,27-,31-/m1/s1
  • InChiKey: RLKJRFCQUOEIHY-KUYWTNKVSA-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 multilocularis regulator of G protein signaling 7 0.0265 0.1461 0.1751
Loa Loa (eye worm) hypothetical protein 0.0265 0.1461 0.1461
Leishmania major hypothetical protein, conserved 0.0076 0.0282 0.2125
Echinococcus multilocularis beta adrenergic receptor kinase 0.1253 0.762 0.9129
Echinococcus granulosus plexin a4 0.004 0.0057 0.0068
Entamoeba histolytica hypothetical protein 0.0265 0.1461 1
Brugia malayi PXA domain containing protein 0.0265 0.1461 0.1461
Brugia malayi plexin A 0.004 0.0057 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.0265 0.1461 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0265 0.1461 0.1461
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0076 0.0282 0.5
Schistosoma mansoni regulator of G protein signaling 0.0265 0.1461 0.1461
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0265 0.1461 0.1461
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.137 0.8347 0.8347
Mycobacterium ulcerans phytoene synthase, CrtB 0.0076 0.0282 0.5
Echinococcus multilocularis Squalene phytoene synthase 0.0076 0.0282 0.0338
Brugia malayi regulator of G-protein signaling egl-10 0.0265 0.1461 0.1461
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0988 0.5968 0.7149
Schistosoma mansoni serine/threonine protein kinase 0.1253 0.762 0.762
Echinococcus multilocularis axis inhibition protein axin 0.0265 0.1461 0.1751
Schistosoma mansoni axis inhibition protein axin 0.0265 0.1461 0.1461
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0265 0.1461 0.1461
Trichomonas vaginalis conserved hypothetical protein 0.0265 0.1461 1
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.137 0.8347 0.8347
Schistosoma mansoni serine/threonine protein kinase 0.1253 0.762 0.762
Echinococcus granulosus Squalene phytoene synthase 0.0076 0.0282 0.0338
Trypanosoma brucei squalene synthase, putative 0.0244 0.1328 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1461 0.1461
Leishmania major squalene synthase, putative 0.0244 0.1328 1
Echinococcus multilocularis G protein coupled receptor kinase 6 0.137 0.8347 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1461 0.1461
Echinococcus granulosus beta-adrenergic receptor kinase 0.1253 0.762 0.9129
Loa Loa (eye worm) plexin A 0.004 0.0057 0.0057
Echinococcus multilocularis Regulator of G protein signaling 20 0.0265 0.1461 0.1751
Loa Loa (eye worm) PXA domain-containing protein 0.0265 0.1461 0.1461
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0076 0.0282 1
Echinococcus granulosus Regulator of G protein signaling 20 0.0265 0.1461 0.1751
Brugia malayi hypothetical protein 0.0265 0.1461 0.1461
Brugia malayi PXA domain containing protein 0.0265 0.1461 0.1461
Schistosoma mansoni regulator of G protein signaling 0.0265 0.1461 0.1461
Echinococcus granulosus axis inhibition protein axin 0.0265 0.1461 0.1751
Echinococcus granulosus regulator of G protein signaling 3 0.0265 0.1461 0.1751
Echinococcus granulosus regulator of G protein signaling 3 0.0265 0.1461 0.1751
Brugia malayi A-kinase anchor protein 10, precursor 0.0265 0.1461 0.1461
Entamoeba histolytica hypothetical protein 0.0265 0.1461 1
Trichomonas vaginalis conserved hypothetical protein 0.0265 0.1461 1
Echinococcus granulosus axis inhibition protein axin 0.0265 0.1461 0.1751
Trypanosoma cruzi squalene synthase, putative 0.0244 0.1328 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0265 0.1461 0.1461
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0265 0.1461 0.1751
Loa Loa (eye worm) hypothetical protein 0.0265 0.1461 0.1461
Loa Loa (eye worm) hypothetical protein 0.0265 0.1461 0.1461
Trypanosoma cruzi squalene synthase, putative 0.0244 0.1328 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0265 0.1461 0.1751
Schistosoma mansoni regulator of G protein signaling 0.0265 0.1461 0.1461
Schistosoma mansoni axis inhibition protein axin 0.0265 0.1461 0.1461
Schistosoma mansoni z-protein (S1r protein) 0.0265 0.1461 0.1461
Trichomonas vaginalis conserved hypothetical protein 0.0265 0.1461 1
Entamoeba histolytica hypothetical protein 0.0265 0.1461 1
Echinococcus granulosus regulator of G protein signaling 7 0.0265 0.1461 0.1751
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.137 0.8347 0.8347
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0265 0.1461 0.1751
Echinococcus multilocularis expressed protein 0.0265 0.1461 0.1751
Loa Loa (eye worm) hypothetical protein 0.0076 0.0282 0.0282
Brugia malayi Plexin repeat family protein 0.0034 0.0018 0.0018
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.137 0.8347 1
Trichomonas vaginalis conserved hypothetical protein 0.0265 0.1461 1
Schistosoma mansoni hypothetical protein 0.0076 0.0282 0.0282
Echinococcus granulosus expressed protein 0.0265 0.1461 0.1751
Loa Loa (eye worm) hypothetical protein 0.0265 0.1461 0.1461
Loa Loa (eye worm) RGS-3 protein 0.0265 0.1461 0.1461
Schistosoma mansoni regulator of G protein signaling 0.0265 0.1461 0.1461
Trichomonas vaginalis conserved hypothetical protein 0.0265 0.1461 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0018 0.0018
Echinococcus multilocularis regulator of G protein signaling 7 0.0265 0.1461 0.1751
Echinococcus granulosus regulator of G protein signaling 7 0.0265 0.1461 0.1751
Echinococcus multilocularis regulator of G protein signaling 0.0265 0.1461 0.1751
Schistosoma mansoni plexin 0.0034 0.0018 0.0018
Brugia malayi regulator of G-protein signaling rgs-7 0.0265 0.1461 0.1461
Brugia malayi Regulator of G protein signaling domain containing protein 0.0265 0.1461 0.1461
Echinococcus multilocularis plexin a4 0.004 0.0057 0.0068
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.1253 0.762 0.762
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0265 0.1461 1
Echinococcus granulosus G protein coupled receptor kinase 1 0.0988 0.5968 0.7149
Echinococcus multilocularis regulator of G protein signaling 3 0.0265 0.1461 0.1751
Trypanosoma cruzi phytoene synthase, putative 0.0076 0.0282 0.2125
Echinococcus multilocularis axis inhibition protein axin 0.0265 0.1461 0.1751
Brugia malayi hypothetical protein 0.0265 0.1461 0.1461
Schistosoma mansoni regulator of G protein signaling 0.0265 0.1461 0.1461
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0265 0.1461 0.1461

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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