Detailed information for compound 1763917

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 516.396 | Formula: C27H28Cl2NO3P
  • H donors: 3 H acceptors: 4 LogP: 5.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCc1c(nc(c(c1CO)O)C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].Cl
  • InChi: 1S/C27H26NO3P.2ClH/c1-20-27(31)25(18-30)24(17-29)26(28-20)19-32(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;;/h2-16,29-30H,17-19H2,1H3;2*1H
  • InChiKey: DKRYHLTZVHNSPX-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
Trichomonas vaginalis CMGC family protein kinase 0.074 1 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.0399 0.0399
Onchocerca volvulus 0.0065 0.067 0.2707
Schistosoma mansoni tyrosine kinase 0.0149 0.1825 0.1812
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.0399 0.0399
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.002 0.0004
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.074 1 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0018 0.002 0.0004
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0033 0.0232 0.0232
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0224 0.287 0.287
Echinococcus multilocularis tyrosine protein kinase HCK 0.0038 0.0294 0.0294
Loa Loa (eye worm) TK protein kinase 0.0117 0.139 0.139
Echinococcus multilocularis Immunoglobulin 0.0033 0.0232 0.0232
Schistosoma mansoni tyrosine kinase 0.0109 0.1272 0.1258
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0018 0.002 0.002
Schistosoma mansoni tyrosine kinase 0.0219 0.2798 0.2787
Brugia malayi Furin-like cysteine rich region family protein 0.0219 0.2798 0.2787
Echinococcus multilocularis neuroglian 0.0042 0.0349 0.0349
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.0399 0.0399
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.074 1 0.5
Echinococcus multilocularis tyrosine protein kinase Blk 0.0042 0.0347 0.0347
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.074 1 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0049 0.0445 0.0445
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0018 0.002 0.002
Brugia malayi Immunoglobulin I-set domain containing protein 0.0117 0.139 0.1376
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0018 0.002 0.002
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.002 0.0004
Echinococcus multilocularis tyrosine protein kinase Srms 0.0042 0.0347 0.0347
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0109 0.1272 0.1272
Echinococcus granulosus roundabout 2 0.0018 0.002 0.002
Echinococcus multilocularis mitogen activated protein kinase 3 0.074 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0779 0.0779
Trichomonas vaginalis CMGC family protein kinase 0.074 1 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.287 0.2859
Echinococcus multilocularis ephrin type A receptor 4 A 0.0073 0.078 0.078
Loa Loa (eye worm) TK/EPH protein kinase 0.0091 0.1026 0.1026
Schistosoma mansoni ephrin receptor 0.0073 0.078 0.0765
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0018 0.0016 0.0016
Brugia malayi ephrin receptor 1 precursor 0.0039 0.0306 0.029
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.0399 0.0399
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0042 0.0347 0.0347
Echinococcus granulosus insulin receptor 0.0188 0.2374 0.2374
Schistosoma mansoni tyrosine kinase 0.0149 0.1825 0.1812
Echinococcus granulosus titin 0.0018 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0033 0.0229 0.0229
Schistosoma mansoni tyrosine kinase 0.0045 0.0399 0.0383
Echinococcus granulosus roundabout 2 0.0051 0.0479 0.0479
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0399 0.0399
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0018 0.002 0.002
Echinococcus granulosus tyrosine protein kinase Src42A 0.0034 0.0237 0.0237
Schistosoma mansoni neuroglian 0.0018 0.002 0.0004
Schistosoma mansoni cell adhesion molecule 0.0018 0.002 0.0004
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.004 0.0328 0.0328
Loa Loa (eye worm) SRC-1 0.0045 0.0399 0.0399
Schistosoma mansoni vesicular amine transporter 0.0033 0.0232 0.0216
Loa Loa (eye worm) TK protein kinase 0.0038 0.0294 0.0294
Schistosoma mansoni nephrin 0.0018 0.002 0.0004
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0109 0.1272 0.1272
Trichomonas vaginalis CMGC family protein kinase 0.074 1 0.5
Echinococcus granulosus neuroglian 0.0042 0.0349 0.0349
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0191 0.2408 0.2408
Echinococcus granulosus Immunoglobulin 0.0033 0.0232 0.0232
Echinococcus multilocularis titin 0.0018 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0016
Schistosoma mansoni tyrosine kinase 0.0141 0.1715 0.1702
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.074 1 0.5
Giardia lamblia Kinase, CMGC MAPK 0.074 1 0.5
Schistosoma mansoni cell adhesion molecule 0.0043 0.0362 0.0346
Echinococcus granulosus tyrosine protein kinase Blk 0.0042 0.0347 0.0347
Loa Loa (eye worm) hypothetical protein 0.0049 0.0445 0.0445
Schistosoma mansoni tyrosine kinase 0.0141 0.1715 0.1702
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.0399 0.0399
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0399 0.0399
Brugia malayi protein-tyrosine kinase 0.0042 0.0347 0.0331
Schistosoma mansoni tyrosine kinase 0.0141 0.1715 0.1702
Echinococcus granulosus twitchin 0.0048 0.0441 0.0441
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0399 0.0399
Schistosoma mansoni cell adhesion molecule 0.0018 0.002 0.0004
Schistosoma mansoni serine/threonine protein kinase 0.074 1 1
Brugia malayi plexin A 0.0021 0.0061 0.0045
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0399 0.0399
Echinococcus granulosus ephrin type A receptor 4 A 0.0073 0.078 0.078
Echinococcus granulosus tyrosine protein kinase HCK 0.0038 0.0294 0.0294
Echinococcus granulosus tyrosine kinase 0.0042 0.0347 0.0347
Loa Loa (eye worm) hypothetical protein 0.0018 0.002 0.002
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.074 1 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0149 0.1825 0.1825
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0191 0.2408 0.2408
Schistosoma mansoni tyrosine kinase 0.0023 0.0096 0.008
Echinococcus granulosus contactin 0.0018 0.002 0.002
Echinococcus granulosus defective proboscis extension response 0.0033 0.0232 0.0232
Echinococcus multilocularis plexin a4 0.0021 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0065 0.067 0.067
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0025 0.0112 0.0112
Schistosoma mansoni tyrosine kinase 0.0045 0.0399 0.0383
Echinococcus granulosus tyrosine protein kinase Lyn 0.0052 0.0491 0.0491
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0399 0.0399
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.0399 0.0399
Echinococcus multilocularis neuroglian 0.0018 0.002 0.002
Echinococcus multilocularis mitogen activated protein kinase 0.074 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0149 0.1825 0.1825
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0033 0.0232 0.0216
Schistosoma mansoni tyrosine kinase 0.0188 0.2374 0.2362
Loa Loa (eye worm) TK/INSR protein kinase 0.0188 0.2374 0.2374
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.074 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.074 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0265 0.0265
Schistosoma mansoni tyrosine kinase 0.0188 0.2374 0.2362
Loa Loa (eye worm) CAMK protein kinase 0.0018 0.0016 0.0016
Echinococcus granulosus roundabout 2 0.0018 0.002 0.002
Loa Loa (eye worm) TK protein kinase 0.0042 0.0347 0.0347
Brugia malayi hypothetical protein 0.0036 0.0265 0.025
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0347 0.0347
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0018 0.002 0.002
Brugia malayi SRC-1 0.0045 0.0399 0.0383
Trichomonas vaginalis CMGC family protein kinase 0.074 1 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.0399 0.0399
Brugia malayi Protein kinase domain containing protein 0.0081 0.0889 0.0874
Echinococcus granulosus fibroblast growth factor receptor 4 0.0109 0.1272 0.1272
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.074 1 0.5
Echinococcus multilocularis roundabout 2 0.0018 0.002 0.002
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.0399 0.0399
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.0016 0.0000044983
Entamoeba histolytica protein kinase, putative 0.0038 0.0294 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.074 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0192 0.2432 1
Echinococcus granulosus neuroglian 0.0018 0.002 0.002
Echinococcus granulosus epidermal growth factor receptor 0.0219 0.2798 0.2798
Loa Loa (eye worm) TK/EGFR protein kinase 0.0219 0.2798 0.2798
Trypanosoma brucei protein kinase, putative 0.074 1 0.5
Onchocerca volvulus 0.0176 0.2204 0.9058
Loa Loa (eye worm) hypothetical protein 0.0033 0.0232 0.0232
Echinococcus granulosus mitogen activated protein kinase 0.074 1 1
Echinococcus multilocularis Immunoglobulin 0.0033 0.0232 0.0232
Echinococcus granulosus titin 0.0018 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0036 0.0265 0.0265
Brugia malayi Immunoglobulin I-set domain containing protein 0.0036 0.0265 0.025
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0109 0.1272 0.1272
Echinococcus granulosus plexin a4 0.0021 0.0061 0.0061
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0033 0.0232 0.0232
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.074 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0033 0.0232 0.0232
Echinococcus multilocularis epidermal growth factor receptor 0.0149 0.1825 0.1825
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0016 0.0000044983
Brugia malayi Protein kinase domain containing protein 0.0188 0.2374 0.2362
Loa Loa (eye worm) plexin A 0.0021 0.0061 0.0061
Echinococcus multilocularis roundabout 2 0.0051 0.0479 0.0479
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.0399 0.0399
Echinococcus multilocularis 0.0065 0.0664 0.0664
Echinococcus multilocularis roundabout 2 0.0018 0.002 0.002
Brugia malayi protein unc-22 0.0018 0.0016 0.0000044983
Schistosoma mansoni titin 0.0018 0.0016 0.0000044983
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0018 0.002 0.002
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0033 0.0232 0.0216
Brugia malayi Fibronectin type III domain containing protein 0.0036 0.0265 0.025
Echinococcus multilocularis insulin receptor 0.0188 0.2374 0.2374
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0034 0.0237 0.0237
Loa Loa (eye worm) hypothetical protein 0.004 0.0328 0.0328
Echinococcus multilocularis epidermal growth factor receptor 0.0219 0.2798 0.2798
Schistosoma mansoni nephrin 0.0044 0.0383 0.0367
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0399 0.0399

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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