Detailed information for compound 1700496

Basic information

Technical information
  • TDR Targets ID: 1700496
  • Name: 2,4-dichloro-N-(3-morpholin-4-ylpropyl)-5-mor pholin-4-ylsulfonylbenzamide
  • MW: 466.379 | Formula: C18H25Cl2N3O5S
  • H donors: 1 H acceptors: 3 LogP: 1.25 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(c(cc1Cl)Cl)S(=O)(=O)N1CCOCC1)NCCCN1CCOCC1
  • InChi: 1S/C18H25Cl2N3O5S/c19-15-13-16(20)17(29(25,26)23-6-10-28-11-7-23)12-14(15)18(24)21-2-1-3-22-4-8-27-9-5-22/h12-13H,1-11H2,(H,21,24)
  • InChiKey: LDLQWSKECBWBBB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,4-dichloro-N-(3-morpholinopropyl)-5-morpholinosulfonyl-benzamide
  • 2,4-dichloro-N-(3-morpholinopropyl)-5-morpholinosulfonylbenzamide
  • 2,4-dichloro-N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonyl-benzamide
  • T0505-9471

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0027 0.1397 0.1397
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.3338 0.3338
Onchocerca volvulus 0.0028 0.1435 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0352 0.0352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.3338 0.3338
Echinococcus granulosus lamin 0.0028 0.1435 0.1435
Brugia malayi MH2 domain containing protein 0.0128 0.8999 0.8999
Schistosoma mansoni lamin 0.0028 0.1435 0.1435
Loa Loa (eye worm) RNA binding protein 0.0141 1 1
Echinococcus granulosus intermediate filament protein 0.0028 0.1435 0.1435
Loa Loa (eye worm) TAR-binding protein 0.0141 1 1
Schistosoma mansoni tar DNA-binding protein 0.0141 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.3338 0.3338
Echinococcus multilocularis musashi 0.0028 0.1435 0.1435
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.1435 0.1435
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.3338 0.3338
Echinococcus granulosus lamin dm0 0.0028 0.1435 0.1435
Schistosoma mansoni tar DNA-binding protein 0.0141 1 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.1435 0.1435
Schistosoma mansoni tar DNA-binding protein 0.0141 1 1
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0463 0.0463
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.3338 0.3338
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.3338 0.3338
Loa Loa (eye worm) hypothetical protein 0.0028 0.1435 0.1435
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0352 0.0352
Brugia malayi intermediate filament protein 0.0028 0.1435 0.1435
Echinococcus multilocularis lamin 0.0028 0.1435 0.1435
Loa Loa (eye worm) hypothetical protein 0.0013 0.0314 0.0314
Echinococcus granulosus tar DNA binding protein 0.0141 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.8999 0.8999
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.3338 0.3338
Onchocerca volvulus 0.0028 0.1435 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0314 0.0314
Loa Loa (eye worm) intermediate filament protein 0.0028 0.1435 0.1435
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.3338 0.3338
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.1435 0.1435
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0463 0.0463
Brugia malayi RNA recognition motif domain containing protein 0.0141 1 1
Echinococcus multilocularis lamin dm0 0.0028 0.1435 0.1435
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.3338 0.3338
Brugia malayi TAR-binding protein 0.0141 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.8999 0.8999
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 1 1
Schistosoma mansoni lamin 0.0028 0.1435 0.1435
Echinococcus multilocularis tar DNA binding protein 0.0141 1 1
Schistosoma mansoni tar DNA-binding protein 0.0141 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0352 0.0352
Schistosoma mansoni tar DNA-binding protein 0.0141 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference

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.

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