Detailed information for compound 1466389

Basic information

Technical information
  • TDR Targets ID: 1466389
  • Name: 2-[(4-bromophenyl)sulfonylamino]-N-[2-(3,4-di methoxyphenyl)ethyl]-3-phenylpropanamide
  • MW: 547.461 | Formula: C25H27BrN2O5S
  • H donors: 2 H acceptors: 3 LogP: 4.81 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1OC)CCNC(=O)C(NS(=O)(=O)c1ccc(cc1)Br)Cc1ccccc1
  • InChi: 1S/C25H27BrN2O5S/c1-32-23-13-8-19(17-24(23)33-2)14-15-27-25(29)22(16-18-6-4-3-5-7-18)28-34(30,31)21-11-9-20(26)10-12-21/h3-13,17,22,28H,14-16H2,1-2H3,(H,27,29)
  • InChiKey: KKJMMFAJOVUXCY-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-propanamide
  • 2-[(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-propionamide

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
Loa Loa (eye worm) hypothetical protein 0.1295 1 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0197 0.1363 1
Loa Loa (eye worm) hypothetical protein 0.1295 1 1
Brugia malayi Bromodomain containing protein 0.0079 0.0432 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0397 0.027
Loa Loa (eye worm) hypothetical protein 0.0057 0.0262 0.0133
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0262 0.192
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0207 0.0941
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0262 0.192
Brugia malayi Bromodomain containing protein 0.004 0.013 0.2673
Schistosoma mansoni hypothetical protein 0.0304 0.2204 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0262 0.5868
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.011 0.0809
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0306 0.2246
Brugia malayi mbt repeat family protein 0.005 0.0207 0.455
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.011 0.0809
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.1295 1 1
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0207 0.1521
Brugia malayi mbt repeat family protein 0.005 0.0207 0.455
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0207 0.0078
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0207 0.1521
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0207 0.1521
Loa Loa (eye worm) hypothetical protein 0.0043 0.015 0.002
Toxoplasma gondii hypothetical protein 0.1295 1 0.5
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0262 0.1188
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0207 0.1521
Schistosoma mansoni bromodomain containing protein 0.0066 0.0336 0.1523
Loa Loa (eye worm) hypothetical protein 0.005 0.0207 0.0078
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0262 0.192
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0197 0.1363 1
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0207 0.0941
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0262 0.192
Onchocerca volvulus 0.005 0.0207 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0207 0.0941
Loa Loa (eye worm) MBCTL1 0.0057 0.0262 0.0133
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0306 0.2246
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0207 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0166 0.0036

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 14 % Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells at 1 uM by immunofluorescent assay ChEMBL. 20951038

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.