Detailed information for compound 275560

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.344 | Formula: C19H19Cl2N3O2S
  • H donors: 1 H acceptors: 3 LogP: 4.43 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)n1c(nc2c1cc(Cl)c(c2)Cl)C1CCNCC1
  • InChi: 1S/C19H19Cl2N3O2S/c1-12-2-4-14(5-3-12)27(25,26)24-18-11-16(21)15(20)10-17(18)23-19(24)13-6-8-22-9-7-13/h2-5,10-11,13,22H,6-9H2,1H3
  • InChiKey: QSLBDMDVGLCEQP-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
Echinococcus multilocularis tar DNA binding protein 0.019 0.6966 1
Schistosoma mansoni tar DNA-binding protein 0.019 0.6966 1
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.616 0.5474
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.572 0.4956
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.2027 0.0937
Trichomonas vaginalis glucosylceramidase, putative 0.0252 1 1
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0137 0.4305 1
Schistosoma mansoni tar DNA-binding protein 0.019 0.6966 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.2027 0.0937
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.8619 0.8619
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.572 0.4956
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.572 0.4956
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.2027 0.0937
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.008 0.1516 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.008 0.1516 0.5
Schistosoma mansoni tar DNA-binding protein 0.019 0.6966 1
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.572 1
Schistosoma mansoni tar DNA-binding protein 0.019 0.6966 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.2027 0.2027
Loa Loa (eye worm) RNA binding protein 0.019 0.6966 0.6966
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.2027 0.2027
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.008 0.1516 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1516 0.1516
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0137 0.4305 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.9546 0.9546
Giardia lamblia Translation initiation factor eIF-4A, putative 0.008 0.1516 0.5
Brugia malayi TAR-binding protein 0.019 0.6966 0.6966
Plasmodium vivax RNA helicase-1, putative 0.008 0.1516 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.2027 0.0937
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.008 0.1516 0.2054
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.572 0.4956
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.2027 0.0937
Brugia malayi follicle stimulating hormone receptor 0.0224 0.8619 0.8619
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.616 0.5474
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.019 0.6966 0.6966
Trichomonas vaginalis glucosylceramidase, putative 0.0252 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.2027 0.0937
Brugia malayi RNA binding protein 0.019 0.6966 0.6966
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.008 0.1516 0.5
Brugia malayi RNA recognition motif domain containing protein 0.019 0.6966 0.6966
Brugia malayi eukaryotic initiation factor 4A 0.008 0.1516 0.1516
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.572 0.4956
Plasmodium falciparum eukaryotic initiation factor 4A 0.008 0.1516 0.5
Brugia malayi MH2 domain containing protein 0.0242 0.9546 0.9546
Leishmania major eukaryotic initiation factor 4a, putative 0.008 0.1516 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0252 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.2027 0.0937
Trichomonas vaginalis glucosylceramidase, putative 0.0252 1 1
Schistosoma mansoni tar DNA-binding protein 0.019 0.6966 1
Treponema pallidum ATP-dependent RNA helicase 0.008 0.1516 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0252 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.008 0.1516 0.5
Echinococcus granulosus tar DNA binding protein 0.019 0.6966 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.572 0.4956
Leishmania major eukaryotic initiation factor 4a, putative 0.008 0.1516 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.9546 0.9546
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0066 0.0795 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.572 0.4956
Loa Loa (eye worm) TAR-binding protein 0.019 0.6966 0.6966

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) > 1000 uM Binding affinity for the 16S ribosomal RNA A-site of Escherichia coli ChEMBL. 14741271

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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