Detailed information for compound 425430

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 433.717 | Formula: C15H7Cl3N2O3S2
  • H donors: 0 H acceptors: 4 LogP: 5.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)CN1C(=O)S/C(=C/c2sc(nc2Cl)Cl)/C1=O
  • InChi: 1S/C15H7Cl3N2O3S2/c16-8-3-1-7(2-4-8)9(21)6-20-13(22)11(25-15(20)23)5-10-12(17)19-14(18)24-10/h1-5H,6H2/b11-5+
  • InChiKey: UXPGDHAFLNBDMM-VZUCSPMQSA-N  

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
Brugia malayi GH02984p 0.0135 0.0177 0.213
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0529 0.3735 1
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0135 0.0177 0.0439
Schistosoma mansoni inositol transporter 0.0529 0.3735 0.3621
Loa Loa (eye worm) hypothetical protein 0.0135 0.0177 0.1641
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0135 0.0177 0.5
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0222 0.0966 0.0803
Brugia malayi sulfakinin receptor protein 0.0207 0.0833 1
Onchocerca volvulus 0.0135 0.0177 0.5
Echinococcus granulosus sodium:glucose cotransporter 2 0.0529 0.3735 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.0833 0.7705
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0135 0.0177 0.0439
Loa Loa (eye worm) hypothetical protein 0.012 0.0039 0.0365
Echinococcus granulosus high affinity choline transporter 1 0.0135 0.0177 0.0439
Echinococcus multilocularis solute carrier family 5 0.0529 0.3735 1
Brugia malayi Sodium:solute symporter family protein 0.0135 0.0177 0.213
Echinococcus granulosus solute carrier family 5 0.0529 0.3735 1
Schistosoma mansoni inositol transporter 0.0529 0.3735 0.3621
Echinococcus granulosus sodium:myo inositol cotransporter 0.0529 0.3735 1
Echinococcus granulosus sodium:glucose cotransporter 0.0529 0.3735 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0177 0.1641
Loa Loa (eye worm) integrin alpha pat-2 0.0235 0.1081 1
Brugia malayi hypothetical protein 0.0207 0.0833 1
Schistosoma mansoni integrin alpha 0.0152 0.0335 0.0161
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0529 0.3735 1
Echinococcus multilocularis high affinity choline transporter 1 0.0135 0.0177 0.0439
Brugia malayi Integrin alpha pat-2 precursor 0.0152 0.0335 0.4027

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 6.25 ug ml-1 Antibacterial activity against methicillin-resistant Staphylococcus aureus isolate after 24 hrs ChEMBL. 17618124
MIC (functional) = 6.25 ug ml-1 Antifungal activity against Candida albicans ATCC 10145 after 48 hrs ChEMBL. 17618124
MIC (functional) = 6.25 ug ml-1 Antifungal activity against Candida albicans ATCC 10145 after 48 hrs ChEMBL. 17618124
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC 43300 after 24 hrs ChEMBL. 17618124
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 25923 after 24 hrs ChEMBL. 17618124
MIC (functional) = 50 ug ml-1 Antibacterial activity against Escherichia coli ATCC 23556 after 24 hrs ChEMBL. 17618124
MIC (functional) = 50 ug ml-1 Antibacterial activity against Escherichia coli ATCC 23556 after 24 hrs ChEMBL. 17618124

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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