Detailed information for compound 807532

Basic information

Technical information
  • TDR Targets ID: 807532
  • Name: 1-(4-bromophenyl)-3-(4-tert-butylphenyl)-3-ph enylsulfonylpropan-1-one
  • MW: 485.433 | Formula: C25H25BrO3S
  • H donors: 0 H acceptors: 3 LogP: 6.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(=O)CC(S(=O)(=O)c1ccccc1)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C25H25BrO3S/c1-25(2,3)20-13-9-19(10-14-20)24(30(28,29)22-7-5-4-6-8-22)17-23(27)18-11-15-21(26)16-12-18/h4-16,24H,17H2,1-3H3
  • InChiKey: NPUZWFNGQOBMJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-bromophenyl)-3-(4-tert-butylphenyl)-3-phenylsulfonyl-propan-1-one
  • 6076-89-7
  • BIM-0009510.P001
  • CBMicro_009501
  • STOCK1S-77291

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 intermediate filament protein 0.0028 0.0161 0.0358
Schistosoma mansoni lamin 0.0028 0.0161 0.0305
Onchocerca volvulus 0.0051 0.0431 0.0509
Schistosoma mansoni lozenge 0.0058 0.0525 0.1422
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0152 0.1663 0.3037
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Schistosoma mansoni survival motor neuron protein 0.0051 0.0431 0.1134
Echinococcus multilocularis lamin dm0 0.0028 0.0161 0.01
Schistosoma mansoni hypothetical protein 0.0175 0.1943 0.5773
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0356 0.4147 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0061 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0061 0.0112
Brugia malayi Bm-MIF-1, identical 0.0356 0.4147 0.7575
Brugia malayi hypothetical protein 0.0465 0.5475 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0061 0.5
Loa Loa (eye worm) glutaminase 0.0288 0.3321 0.6066
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0356 0.4147 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0356 0.4147 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0356 0.4147 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0061 0.0112
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Mycobacterium ulcerans glutaminase 0.0288 0.3321 1
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.2837 0.2792
Schistosoma mansoni intermediate filament proteins 0.0028 0.0161 0.0305
Trichomonas vaginalis conserved hypothetical protein 0.0356 0.4147 1
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0356 0.4147 1
Schistosoma mansoni hypothetical protein 0.0175 0.1943 0.5773
Trypanosoma brucei unspecified product 0.002 0.0061 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0061 0.0112
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0356 0.4147 0.7575
Echinococcus granulosus geminin 0.0175 0.1943 0.6781
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0161 0.0293
Trichomonas vaginalis glutaminase, putative 0.0288 0.3321 0.7978
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0061 0.5
Schistosoma mansoni glutaminase 0.0288 0.3321 1
Echinococcus multilocularis musashi 0.0028 0.0161 0.01
Echinococcus multilocularis Protein lozenge 0.0058 0.0525 0.0466
Loa Loa (eye worm) runx1 0.0058 0.0525 0.0958
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Brugia malayi hypothetical protein 0.0248 0.2837 0.5181
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0152 0.1663 0.3037
Loa Loa (eye worm) hypothetical protein 0.0028 0.0161 0.0293
Plasmodium falciparum macrophage migration inhibitory factor 0.0356 0.4147 0.5
Echinococcus multilocularis geminin 0.0175 0.1943 0.1893
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0161 0.0293
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0061 0.5
Brugia malayi intermediate filament protein 0.0028 0.0161 0.0293
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0431 0.0787
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0161 0.0293
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0356 0.4147 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0154 0.0282
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.2837 1
Loa Loa (eye worm) glutaminase 2 0.0288 0.3321 0.6066
Echinococcus granulosus lamin 0.0028 0.0161 0.0358
Loa Loa (eye worm) hypothetical protein 0.0465 0.5475 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0061 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0061 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0061 0.0112
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.0431 0.1134
Echinococcus multilocularis lamin 0.0028 0.0161 0.01
Brugia malayi glutaminase DH11.1 0.0288 0.3321 0.6066
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0465 0.5475 1
Loa Loa (eye worm) hypothetical protein 0.0248 0.2837 0.5181
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0061 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0061 0.5
Onchocerca volvulus 0.0465 0.5475 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0061 0.5
Giardia lamblia Macrophage migration inhibitory factor 0.0356 0.4147 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0061 0.5
Schistosoma mansoni lamin 0.0028 0.0161 0.0305
Echinococcus granulosus lamin dm0 0.0028 0.0161 0.0358

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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