Detailed information for compound 217063

Basic information

Technical information
  • TDR Targets ID: 217063
  • Name: 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfo namide
  • MW: 322.341 | Formula: C16H10N4O2S
  • H donors: 2 H acceptors: 4 LogP: 2.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)S(=O)(=O)Nc1cccc2c1[nH]cc2C#N
  • InChi: 1S/C16H10N4O2S/c17-8-11-3-1-4-13(7-11)23(21,22)20-15-6-2-5-14-12(9-18)10-19-16(14)15/h1-7,10,19-20H
  • InChiKey: WRDMHPSIVRXFTD-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 tyrosine kinase 0.0045 0.2235 0.2235
Schistosoma mansoni growth factor receptor-bound protein 0.0069 0.7765 0.7765
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.2235 0.2235
Brugia malayi SH2 domain containing protein 0.0045 0.2235 0.2235
Schistosoma mansoni tyrosine kinase 0.0045 0.2235 0.2235
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0079 1 1
Echinococcus granulosus c src tyrosine kinase 0.0079 1 1
Brugia malayi protein-tyrosine kinase 0.0045 0.2235 0.2235
Brugia malayi Protein kinase domain containing protein 0.0045 0.2235 0.2235
Brugia malayi Protein kinase domain containing protein 0.0045 0.2235 0.2235
Echinococcus granulosus tyrosine protein kinase Src42A 0.0079 1 1
Brugia malayi Variant SH3 domain containing protein 0.0069 0.7765 0.7765
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0079 1 1
Schistosoma mansoni tyrosine kinase 0.0079 1 1
Brugia malayi Protein kinase domain containing protein 0.0045 0.2235 0.2235
Onchocerca volvulus 0.0045 0.2235 1
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Echinococcus granulosus tyrosine protein kinase Blk 0.0045 0.2235 0.2235
Loa Loa (eye worm) hypothetical protein 0.0045 0.2235 0.2235
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Loa Loa (eye worm) SRC-1 0.0079 1 1
Schistosoma mansoni adapter molecule crk 0.0069 0.7765 0.7765
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0079 1 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0069 0.7765 0.7765
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 1 1
Echinococcus granulosus growth factor receptor bound protein 2 0.0069 0.7765 0.7765
Schistosoma mansoni tyrosine kinase 0.0079 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0079 1 1
Brugia malayi SRC-1 0.0079 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0079 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.2038 0.2038
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0069 0.7765 0.7765
Brugia malayi Protein kinase domain containing protein 0.0045 0.2235 0.2235
Onchocerca volvulus 0.0045 0.2235 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0079 1 1
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0045 0.2235 0.2235
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0079 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0079 1 1
Onchocerca volvulus 0.0045 0.2235 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0045 0.2235 0.2235
Brugia malayi hypothetical protein 0.0045 0.2235 0.2235
Onchocerca volvulus 0.0045 0.2235 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0045 0.2235 0.2235
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0079 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0079 1 1
Echinococcus multilocularis tyrosine protein kinase shark 0.0045 0.2235 0.2235
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0079 1 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0045 0.2235 0.2235
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 1 1
Schistosoma mansoni tyrosine kinase 0.0079 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0079 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Echinococcus multilocularis tyrosine protein kinase Srms 0.0045 0.2235 0.2235
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0079 1 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0045 0.2235 0.2235
Brugia malayi Variant SH3 domain containing protein 0.0069 0.7765 0.7765
Schistosoma mansoni nck2/grb4 0.0069 0.7765 0.7765
Onchocerca volvulus 0.0045 0.2235 1
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Echinococcus multilocularis NCK adaptor protein 0.0069 0.7765 0.7765
Echinococcus granulosus tyrosine protein kinase shark 0.0045 0.2235 0.2235
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Schistosoma mansoni growth factor receptor-bound protein 0.0069 0.7765 0.7765
Loa Loa (eye worm) hypothetical protein 0.0069 0.7765 0.7765
Echinococcus multilocularis c src tyrosine kinase 0.0079 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0045 0.2235 0.2235
Brugia malayi Protein kinase domain containing protein 0.0045 0.2235 0.2235
Loa Loa (eye worm) TK/FER protein kinase 0.0045 0.2235 0.2235
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 1 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0069 0.7765 0.7765
Onchocerca volvulus 0.0045 0.2235 1
Schistosoma mansoni tyrosine kinase 0.0079 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0045 0.2235 0.2235
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 1 1
Echinococcus granulosus tyrosine kinase 0.0045 0.2235 0.2235
Echinococcus granulosus NCK adaptor protein 0.0069 0.7765 0.7765
Echinococcus granulosus tyrosine kinase 0.0045 0.2235 0.2235
Loa Loa (eye worm) TK protein kinase 0.0045 0.2235 0.2235
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0045 0.2235 1
Brugia malayi SH2 domain containing protein 0.0045 0.2235 0.2235
Brugia malayi Sex muscle abnormal protein 5 0.0069 0.7765 0.7765
Schistosoma mansoni tyrosine kinase 0.0045 0.2235 0.2235
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0079 1 1
Echinococcus granulosus tyrosine protein kinase Srms 0.0045 0.2235 0.2235
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0069 0.7765 0.7765

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.09 ug ml-1 In vitro antiproliferative activity against colon 38 murine adenocarcinoma ChEMBL. 10508428
IC50 (functional) = 0.09 ug ml-1 In vitro antiproliferative activity against colon 38 murine adenocarcinoma ChEMBL. 10508428
IC50 (functional) = 0.2 ug ml-1 Antiproliferative activity against P388 murine leukemia in vitro ChEMBL. 10508428
IC50 (functional) = 0.2 ug ml-1 Antiproliferative activity against P388 murine leukemia in vitro ChEMBL. 10508428
IC50 (functional) = 8.2 ug ml-1 Antiproliferative activity against KB human nasopharynx carcinoma in vitro ChEMBL. 10508428
IC50 (functional) = 8.200000000000001 ug ml-1 Antiproliferative activity against KB human nasopharynx carcinoma in vitro ChEMBL. 10508428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 10508428
Homo sapiens ChEMBL23 10508428

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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