Detailed information for compound 2121558

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.093 | Formula: C22H17NO3S
  • H donors: 1 H acceptors: 2 LogP: 5.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1cccc2c1cccc2)Nc1ccc(cc1)Oc1ccccc1
  • InChi: InChI=1S/C22H17NO3S/c24-27(25,22-12-6-8-17-7-4-5-11-21(17)22)23-18-13-15-20(16-14-18)26-19-9-2-1-3-10-19/h1-16,23H
  • InChiKey: RDRNPFHUNQOZPK-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
Schistosoma mansoni plexin 0.0417 0.1699 0.4757
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0151 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0417 0.1699 0.3868
Echinococcus granulosus roundabout 2 0.0161 0.0142 0.0142
Echinococcus granulosus semaphorin 5B 0.0308 0.1038 0.1038
Schistosoma mansoni hypothetical protein 0.0308 0.1038 0.2905
Brugia malayi Immunoglobulin I-set domain containing protein 0.0499 0.2192 0.499
Loa Loa (eye worm) hypothetical protein 0.0161 0.0142 0.0322
Schistosoma mansoni cell adhesion molecule 0.0151 0.0079 0.0222
Loa Loa (eye worm) hypothetical protein 0.0308 0.1038 0.2362
Loa Loa (eye worm) hypothetical protein 0.0308 0.1038 0.2362
Onchocerca volvulus Tyrosine kinase homolog 0.0358 0.134 0.1417
Echinococcus multilocularis hypothetical protein 0.0308 0.1038 0.2362
Echinococcus multilocularis insulin receptor 0.0151 0.0084 0.0191
Echinococcus granulosus insulin receptor 0.0151 0.0084 0.0084
Schistosoma mansoni tyrosine kinase 0.0171 0.0202 0.0567
Schistosoma mansoni tyrosine kinase 0.0171 0.0202 0.0567
Echinococcus multilocularis roundabout 2 0.0161 0.0142 0.0322
Echinococcus granulosus plexin a4 0.0861 0.4392 0.4392
Echinococcus multilocularis epidermal growth factor receptor 0.037 0.1412 0.3214
Onchocerca volvulus 0.0308 0.1038 0.0256
Loa Loa (eye worm) hypothetical protein 0.0151 0.0079 0.0181
Schistosoma mansoni tyrosine kinase 0.0171 0.0202 0.0567
Onchocerca volvulus 0.0726 0.3572 1
Schistosoma mansoni tyrosine kinase 0.0221 0.0509 0.1424
Loa Loa (eye worm) TK/EGFR protein kinase 0.037 0.1412 0.3214
Entamoeba histolytica tyrosin kinase, putative 0.0186 0.0292 0.5
Brugia malayi Sema domain containing protein 0.0308 0.1038 0.2362
Loa Loa (eye worm) hypothetical protein 0.0308 0.1038 0.2362
Brugia malayi Sema domain containing protein 0.0308 0.1038 0.2362
Loa Loa (eye worm) sema domain-containing protein 0.0308 0.1038 0.2362
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0151 0.0079 0.0079
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0221 0.0509 0.0509
Schistosoma mansoni hypothetical protein 0.0308 0.1038 0.2905
Loa Loa (eye worm) plexin A 0.0861 0.4392 1
Echinococcus granulosus neuroglian 0.0148 0.0062 0.0062
Loa Loa (eye worm) TK/INSR protein kinase 0.0151 0.0084 0.0191
Schistosoma mansoni semaphorin 5-related 0.0308 0.1038 0.2905
Schistosoma mansoni tyrosine kinase 0.0151 0.0084 0.0235
Echinococcus granulosus epidermal growth factor receptor 0.037 0.1412 0.1412
Loa Loa (eye worm) hypothetical protein 0.0308 0.1038 0.2362
Brugia malayi Protein kinase domain containing protein 0.0151 0.0084 0.0191
Echinococcus multilocularis neuroglian 0.0148 0.0062 0.0142
Entamoeba histolytica protein kinase domain containing protein 0.0186 0.0292 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.037 0.1412 0.3214
Echinococcus multilocularis plexin a4 0.0861 0.4392 1
Loa Loa (eye worm) sema domain-containing protein 0.0308 0.1038 0.2362
Loa Loa (eye worm) hypothetical protein 0.0161 0.0142 0.0322
Brugia malayi Plexin repeat family protein 0.0726 0.3572 0.8132
Echinococcus granulosus twitchin 0.0148 0.0062 0.0062
Brugia malayi plexin A 0.0861 0.4392 1
Echinococcus multilocularis epidermal growth factor receptor 0.0221 0.0509 0.1158
Schistosoma mansoni nephrin 0.0148 0.0062 0.0174
Schistosoma mansoni tyrosine kinase 0.0221 0.0509 0.1424
Echinococcus granulosus semaphorin 1A 0.0308 0.1038 0.1038
Brugia malayi hypothetical protein 0.0308 0.1038 0.2362
Loa Loa (eye worm) hypothetical protein 0.0308 0.1038 0.2362
Echinococcus granulosus epidermal growth factor receptor 0.0221 0.0509 0.0509
Schistosoma mansoni tyrosine kinase 0.037 0.1412 0.3953
Loa Loa (eye worm) hypothetical protein 0.0726 0.3572 0.8132
Schistosoma mansoni tyrosine kinase 0.0151 0.0084 0.0235
Echinococcus multilocularis semaphorin 5B 0.0308 0.1038 0.2362
Schistosoma mansoni plexin 0.0726 0.3572 1
Brugia malayi hypothetical protein 0.0308 0.1038 0.2362
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0151 0.0084 0.0191
Schistosoma mansoni hypothetical protein 0.0417 0.1699 0.4757
Loa Loa (eye worm) hypothetical protein 0.0308 0.1038 0.2362
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0499 0.2192 0.499

Activities

No activities found for this compound.

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.

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