Detailed information for compound 1051717

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.281 | Formula: C12H8N4O4S
  • H donors: 0 H acceptors: 6 LogP: 1.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1ccc2c1nccn2
  • InChi: 1S/C12H8N4O4S/c17-16(18)9-2-1-3-10(8-9)21(19,20)15-7-4-11-12(15)14-6-5-13-11/h1-8H
  • InChiKey: ZWCBPIZRCZUJFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens MET proto-oncogene, receptor tyrosine kinase Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Protein kinase domain containing protein 0.0091 0.046 0.0494
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.1515 0.9311 0.5
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.1515 0.9311 0.5
Echinococcus multilocularis mitogen activated protein kinase 14 0.1515 0.9311 1
Brugia malayi Protein kinase c protein 2 0.0023 0.0037 0.004
Onchocerca volvulus 0.0021 0.0026 0.056
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0023 0.0037 0.004
Loa Loa (eye worm) hypothetical protein 0.1626 1 1
Toxoplasma gondii hypothetical protein 0.1626 1 1
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0023 0.0037 0.004
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.1515 0.9311 0.5
Loa Loa (eye worm) plexin A 0.0025 0.005 0.005
Echinococcus multilocularis ephrin type A receptor 4 A 0.008 0.0394 0.0423
Echinococcus granulosus c-Jun N-terminal kinases 0.023 0.1324 0.1422
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.1626 1 1
Echinococcus granulosus discoidin domain receptor 0.0085 0.0427 0.0458
Brugia malayi Plexin repeat family protein 0.0021 0.0026 0.0028
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0037 0.0129
Schistosoma mansoni ephrin receptor 0.0066 0.0305 0.1053
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0037 0.0129
Echinococcus granulosus mitogen activated protein kinase 14 0.1515 0.9311 1
Echinococcus granulosus ephrin type A receptor 4 A 0.008 0.0394 0.0423
Echinococcus granulosus plexin a4 0.0025 0.005 0.0053
Echinococcus multilocularis raf serine:threonine protein kinase 0.0482 0.2893 0.3107
Brugia malayi P38 map kinase family protein 2 0.1515 0.9311 1
Onchocerca volvulus 0.0091 0.046 1
Brugia malayi protein kinase C3,putative 0.0023 0.0037 0.004
Brugia malayi ephrin receptor 1 precursor 0.0034 0.0106 0.0114
Loa Loa (eye worm) raf kinase 0.0477 0.286 0.286
Schistosoma mansoni plexin 0.0021 0.0026 0.0089
Echinococcus multilocularis protein kinase c iota type 0.0023 0.0037 0.004
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0023 0.0037 0.004
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0026
Loa Loa (eye worm) TK/DDR protein kinase 0.008 0.0394 0.0394
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0037 0.0129
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.1515 0.9311 0.9311
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.023 0.1324 0.1324
Brugia malayi C1-like domain containing protein 0.0023 0.0037 0.004
Schistosoma mansoni serine/threonine protein kinase 0.0482 0.2893 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0087 0.0087
Schistosoma mansoni protein kinase C mu 0.0023 0.0037 0.0129
Schistosoma mansoni atypical protein kinase C 0.0023 0.0037 0.0129
Echinococcus granulosus protein kinase c iota type 0.0023 0.0037 0.004
Echinococcus multilocularis mitogen activated protein kinase 11 0.1515 0.9311 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0023 0.0037 0.0037
Echinococcus granulosus mitogen activated protein kinase 11 0.1515 0.9311 1
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0275 0.1604 0.1604
Brugia malayi Stress-activated protein kinase jnk-1 0.023 0.1324 0.1422
Brugia malayi Raf kinase 0.0466 0.2789 0.2996
Brugia malayi plexin A 0.0025 0.005 0.0053
Brugia malayi Protein kinase domain containing protein 0.0023 0.0037 0.004
Echinococcus granulosus protein kinase c epsilon type 0.0023 0.0037 0.004
Onchocerca volvulus 0.006 0.0271 0.5894
Loa Loa (eye worm) hypothetical protein 0.1626 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0271 0.0271
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0037 0.0129
Echinococcus granulosus raf serine:threonine protein kinase 0.0482 0.2893 0.3107
Echinococcus multilocularis protein kinase c epsilon type 0.0023 0.0037 0.004
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0023 0.0037 0.004
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0023 0.0037 0.0037
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.1515 0.9311 0.5
Echinococcus multilocularis c Jun NH2 terminal kinase 0.023 0.1324 0.1422
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0037 0.0129
Brugia malayi protein kinase C II. 0.0023 0.0037 0.004
Entamoeba histolytica protein kinase, putative 0.002 0.0023 1
Echinococcus multilocularis plexin a4 0.0025 0.005 0.0053
Loa Loa (eye worm) hypothetical protein 0.0085 0.0427 0.0427
Loa Loa (eye worm) hypothetical protein 0.008 0.0394 0.0394
Echinococcus granulosus Protein kinase C brain isozyme 0.0023 0.0037 0.004
Echinococcus multilocularis mitogen activated protein kinase 14 0.1515 0.9311 1
Schistosoma mansoni serine/threonine protein kinase 0.023 0.1324 0.4577
Echinococcus multilocularis mitogen activated protein kinase 11 0.1515 0.9311 1
Loa Loa (eye worm) TK/EPH protein kinase 0.0082 0.0408 0.0408
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0023 0.0037 0.0037

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1730 nM Inhibition of human recombinant His-tagged c-Met by TR-FRET assay ChEMBL. 19369077
IC50 (binding) = 1730 nM Inhibition of human c-MET ChEMBL. 21641696

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

2 literature references were collected for this gene.

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