Detailed information for compound 179065

Basic information

Technical information
  • TDR Targets ID: 179065
  • Name: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]etha nesulfonamide
  • MW: 407.485 | Formula: C22H21N3O3S
  • H donors: 2 H acceptors: 3 LogP: 4.37 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)CC
  • InChi: 1S/C22H21N3O3S/c1-3-29(26,27)25-15-12-13-20(21(14-15)28-2)24-22-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)22/h4-14,25H,3H2,1-2H3,(H,23,24)
  • InChiKey: SPMXAUDSAYVFOR-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]ethanesulfonamide
  • N-[4-(9-acridinylamino)-3-methoxyphenyl]ethanesulfonamide
  • NCI60_001949

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 defective proboscis extension response 0.0078 0.6423 0.6423
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0096 0.9132 0.9132
Echinococcus granulosus twitchin 0.0098 0.9391 0.9391
Loa Loa (eye worm) hypothetical protein 0.0082 0.7032 0.7032
Loa Loa (eye worm) hypothetical protein 0.0078 0.6423 0.6423
Echinococcus multilocularis Immunoglobulin 0.0078 0.6423 0.6423
Schistosoma mansoni cell adhesion molecule 0.0082 0.7032 0.7314
Brugia malayi hypothetical protein 0.0078 0.6423 0.7034
Brugia malayi Fibronectin type III domain containing protein 0.0078 0.6423 0.7034
Onchocerca volvulus Tyrosine kinase homolog 0.0034 0 0.5
Echinococcus granulosus neuroglian 0.0098 0.9391 0.9391
Loa Loa (eye worm) hypothetical protein 0.0078 0.6423 0.6423
Echinococcus multilocularis Immunoglobulin 0.0078 0.6423 0.6423
Echinococcus granulosus Immunoglobulin 0.0078 0.6423 0.6423
Echinococcus multilocularis neuroglian 0.0098 0.9391 0.9391
Loa Loa (eye worm) hypothetical protein 0.0078 0.6423 0.6423
Echinococcus multilocularis roundabout 2 0.0102 1 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0078 0.6423 0.6423
Loa Loa (eye worm) hypothetical protein 0.0078 0.6423 0.6423
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0082 0.7032 0.7032
Loa Loa (eye worm) hypothetical protein 0.0078 0.6423 0.6423
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0078 0.6423 0.6621
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0078 0.6423 0.6621
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Schistosoma mansoni nephrin 0.0098 0.9391 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0096 0.9132 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.6423 0.6423
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.6423 0.7034
Schistosoma mansoni vesicular amine transporter 0.0078 0.6423 0.6621

Activities

Activity type Activity value Assay description Source Reference
Log 1/D50 (functional) = 5.08 Drug concentration in mole/kg/day providing 50% extension of life in intraperitoneally implanted leukemia L1210 mice. ChEMBL. 7069706
Log 1/LD10 (ADMET) = 4.68 Compound concentration in mole/kg/day lethal to 10% of mice ChEMBL. 7069706

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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