Detailed information for compound 1810725

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.772 | Formula: C18H19ClNO8P
  • H donors: 0 H acceptors: 4 LogP: 3.51 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COP(=O)(C(c1cccc(c1)[N+](=O)[O-])OC(=O)COc1cc(C)ccc1Cl)OC
  • InChi: 1S/C18H19ClNO8P/c1-12-7-8-15(19)16(9-12)27-11-17(21)28-18(29(24,25-2)26-3)13-5-4-6-14(10-13)20(22)23/h4-10,18H,11H2,1-3H3
  • InChiKey: BPZNQKCEYWMVKA-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
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0128 0.1388 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0794 1 1
Trichomonas vaginalis AGC family protein kinase 0.0128 0.1388 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0032 0.0145 0.0145
Echinococcus granulosus roundabout 2 0.0045 0.0312 0.0312
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0187 0.2142 0.2142
Schistosoma mansoni neuroglian 0.0024 0.0038 0.0038
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0128 0.1388 0.5
Plasmodium falciparum serine/threonine protein kinase, putative 0.0128 0.1388 0.5
Brugia malayi hypothetical protein 0.0025 0.0053 0.0015
Leishmania major protein kinase, putative 0.0128 0.1388 0.5
Schistosoma mansoni tyrosine kinase 0.0026 0.0066 0.0066
Toxoplasma gondii aurora kinase 0.0128 0.1388 0.5
Echinococcus multilocularis neuroglian 0.003 0.0114 0.0114
Entamoeba histolytica protein kinase , putative 0.0128 0.1388 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0392 0.48 0.478
Echinococcus granulosus epidermal growth factor receptor 0.0187 0.2142 0.2142
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0024 0.0038 0.0038
Schistosoma mansoni cell adhesion molecule 0.0024 0.0038 0.0038
Echinococcus multilocularis roundabout 2 0.0024 0.0038 0.0038
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0024 0.0038 0.0038
Loa Loa (eye worm) AUR protein kinase 0.0128 0.1388 0.1388
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0128 0.1388 0.1388
Entamoeba histolytica protein kinase, putative 0.0128 0.1388 0.5
Schistosoma mansoni tyrosine kinase 0.018 0.2061 0.2061
Schistosoma mansoni cell adhesion molecule 0.0036 0.0198 0.0198
Echinococcus granulosus roundabout 2 0.0024 0.0038 0.0038
Echinococcus granulosus aurora kinase A 0.0128 0.1388 0.1388
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0024 0.0038 0.0038
Echinococcus granulosus neuroglian 0.0024 0.0038 0.0038
Echinococcus granulosus twitchin 0.0031 0.0127 0.0127
Schistosoma mansoni nephrin 0.0034 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0041 0.0259 0.0259
Echinococcus multilocularis epidermal growth factor receptor 0.0344 0.4175 0.4175
Loa Loa (eye worm) hypothetical protein 0.0025 0.0053 0.0053
Loa Loa (eye worm) AUR protein kinase 0.0128 0.1388 0.1388
Brugia malayi serine/threonine kinase 12 0.0128 0.1388 0.1355
Echinococcus multilocularis insulin receptor 0.0113 0.1186 0.1186
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0024 0.0038 0.0038
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0117 0.1239 0.1239
Schistosoma mansoni nephrin 0.0024 0.0038 0.0038
Echinococcus granulosus roundabout 2 0.0024 0.0038 0.0038
Schistosoma mansoni tyrosine kinase 0.0113 0.1186 0.1186
Schistosoma mansoni cell adhesion molecule 0.0024 0.0038 0.0038
Echinococcus multilocularis epidermal growth factor receptor 0.0187 0.2142 0.2142
Loa Loa (eye worm) TK/EGFR protein kinase 0.0344 0.4175 0.4175
Schistosoma mansoni serine/threonine protein kinase 0.0128 0.1388 0.1388
Loa Loa (eye worm) AUR protein kinase 0.0128 0.1388 0.1388
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0117 0.1239 0.1239
Echinococcus granulosus insulin receptor 0.0113 0.1186 0.1186
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0024 0.0038 0.0038
Schistosoma mansoni tyrosine kinase 0.0187 0.2142 0.2142
Brugia malayi serine/threonine-protein kinase 6 0.0128 0.1388 0.1355
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0024 0.0038 0.0038
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0024 0.0038 0.0038
Onchocerca volvulus Tyrosine kinase homolog 0.0368 0.4494 1
Trichomonas vaginalis AGC family protein kinase 0.0128 0.1388 0.5
Trichomonas vaginalis AGC family protein kinase 0.0128 0.1388 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0025 0.0053 0.0053
Brugia malayi Immunoglobulin I-set domain containing protein 0.0025 0.0053 0.0015
Giardia lamblia Aurora kinase 0.0128 0.1388 0.5
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.0794 1 1
Trypanosoma cruzi aurora B kinase, putative 0.0128 0.1388 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0128 0.1388 0.5
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0128 0.1388 0.1388
Echinococcus granulosus contactin 0.0024 0.0038 0.0038
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0392 0.48 0.48
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.0794 1 1
Brugia malayi Fibronectin type III domain containing protein 0.0025 0.0053 0.0015
Brugia malayi Furin-like cysteine rich region family protein 0.0344 0.4175 0.4153
Trichomonas vaginalis AGC family protein kinase 0.0128 0.1388 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0344 0.4175 0.4175
Schistosoma mansoni tyrosine kinase 0.0113 0.1186 0.1186
Loa Loa (eye worm) hypothetical protein 0.0025 0.0053 0.0053
Trypanosoma brucei aurora B kinase 0.0128 0.1388 0.5
Echinococcus granulosus neuroglian 0.003 0.0114 0.0114
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.0794 1 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0025 0.0051 0.0051
Echinococcus multilocularis roundabout 2 0.0024 0.0038 0.0038
Echinococcus multilocularis roundabout 2 0.0045 0.0312 0.0312
Echinococcus multilocularis aurora kinase A 0.0128 0.1388 0.1388
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0128 0.1388 0.5
Schistosoma mansoni tyrosine kinase 0.0344 0.4175 0.4175
Schistosoma mansoni protein kinase 0.0128 0.1388 0.1388
Echinococcus multilocularis neuroglian 0.0024 0.0038 0.0038
Schistosoma mansoni tyrosine kinase 0.0187 0.2142 0.2142
Entamoeba histolytica protein kinase domain containing protein 0.0128 0.1388 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0145 0.0145
Brugia malayi serine/threonine protein kinase 6 0.0128 0.1388 0.1355
Entamoeba histolytica protein kinase, putative 0.0128 0.1388 0.5
Schistosoma mansoni tyrosine kinase 0.018 0.2061 0.2061
Schistosoma mansoni tyrosine kinase 0.018 0.2061 0.2061
Brugia malayi Protein kinase domain containing protein 0.0113 0.1186 0.1152
Loa Loa (eye worm) TK/INSR protein kinase 0.0113 0.1186 0.1186
Echinococcus multilocularis 0.0105 0.1086 0.1086

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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