Detailed information for compound 863932

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 562.637 | Formula: C29H30N4O6S
  • H donors: 2 H acceptors: 4 LogP: 2.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc(c(c1)NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CC2CC(C1)c1n(C2)c(=O)ccc1)NC1CC1
  • InChi: 1S/C29H30N4O6S/c34-28-3-1-2-24-20-12-18(16-33(24)28)15-32(17-20)25-8-4-19(29(35)30-21-5-6-21)13-23(25)31-40(36,37)22-7-9-26-27(14-22)39-11-10-38-26/h1-4,7-9,13-14,18,20-21,31H,5-6,10-12,15-17H2,(H,30,35)
  • InChiKey: XMTZAUCZFOMKMC-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
Brugia malayi N-terminal motif family protein 0.0188 0.4723 1
Echinococcus multilocularis geminin 0.0175 0.4395 1
Schistosoma mansoni dishevelled 0.0009 0.0069 0.0157
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0069 0.0157
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1061 0.2246
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0069 0.0157
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1061 0.2414
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0188 0.4723 1
Brugia malayi DIX domain containing protein 0.0009 0.0069 0.0146
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0146
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0149 0.371 1
Schistosoma mansoni dep domain containing protein 0.0009 0.0069 0.0157
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0069 0.0157
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0069 0.0157
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0069 0.0146
Trypanosoma brucei Peptide deformylase 2 0.0149 0.371 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Plasmodium falciparum peptide deformylase 0.0391 1 0.5
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0069 0.0157
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0146
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0149 0.371 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0069 0.0157
Trichomonas vaginalis ras GTP exchange factor, putative 0.0007 0 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0069 0.0157
Treponema pallidum polypeptide deformylase (def) 0.0391 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0149 0.371 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0069 0.0157
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1061 0.2414
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1061 0.2414
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1061 0.2414
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1061 0.2414
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0069 0.0146
Entamoeba histolytica hypothetical protein 0.0007 0 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0069 0.0157
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0007 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0069 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0391 1 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0149 0.371 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0069 0.0157
Brugia malayi hypothetical protein 0.0009 0.0069 0.0146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1061 0.2414
Echinococcus granulosus geminin 0.0175 0.4395 1
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0069 0.0157
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Schistosoma mansoni dishevelled 0.0009 0.0069 0.0157
Toxoplasma gondii hypothetical protein 0.0391 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1061 0.2414
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0391 1 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0391 1 0.5
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0007 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0069 0.0146
Trypanosoma brucei Polypeptide deformylase 1 0.0149 0.371 0.5
Onchocerca volvulus 0.0009 0.0069 0.0146
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0069 0.0157
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0069 0.0157
Brugia malayi hypothetical protein 0.0009 0.0069 0.0146
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0146
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0069 0.0146
Mycobacterium ulcerans peptide deformylase 0.0391 1 0.5
Schistosoma mansoni hypothetical protein 0.0175 0.4395 1
Plasmodium vivax peptide deformylase, putative 0.0391 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0149 0.371 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1061 0.2246
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0069 0.0146
Schistosoma mansoni hypothetical protein 0.0175 0.4395 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.4723 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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