Detailed information for compound 1810737

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.335 | Formula: C18H18F3NO4
  • H donors: 0 H acceptors: 1 LogP: 4.21 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C)C)Oc1ccccc1OCCOc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C18H18F3NO4/c1-22(2)17(23)26-16-6-4-3-5-15(16)25-12-11-24-14-9-7-13(8-10-14)18(19,20)21/h3-10H,11-12H2,1-2H3
  • InChiKey: NQCYWEMQNUHCIY-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 epidermal growth factor receptor 0.0171 0.2506 0.6995
Trichomonas vaginalis CMGC family protein kinase 0.0229 0.3524 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0346 0.0213
Schistosoma mansoni tyrosine kinase 0.0089 0.1062 0.3014
Schistosoma mansoni vesicular amine transporter 0.0037 0.0136 0.0386
Loa Loa (eye worm) TK protein kinase 0.0128 0.1744 0.163
Echinococcus granulosus mitogen activated protein kinase 3 0.0229 0.3524 1
Echinococcus granulosus twitchin 0.0051 0.0396 0.0768
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0115 0.152 0.4086
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0229 0.3524 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0057 0.0494 0.1056
Schistosoma mansoni tyrosine kinase 0.0057 0.0494 0.1401
Echinococcus multilocularis roundabout 2 0.0061 0.057 0.1282
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0229 0.3524 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0229 0.3524 0.3435
Echinococcus granulosus epidermal growth factor receptor 0.0093 0.1138 0.2957
Schistosoma mansoni tyrosine kinase 0.0171 0.2506 0.7111
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0115 0.152 0.4086
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0093 0.1138 0.2957
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0049 0.0346 0.0621
Trichomonas vaginalis CMGC family protein kinase 0.0229 0.3524 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.056 0.9368 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0229 0.3524 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0171 0.2506 0.2403
Schistosoma mansoni tyrosine kinase 0.0115 0.152 0.4314
Loa Loa (eye worm) hypothetical protein 0.0061 0.057 0.044
Schistosoma mansoni tyrosine kinase 0.0089 0.1062 0.3014
Echinococcus multilocularis mitogen activated protein kinase 3 0.0229 0.3524 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0128 0.1744 0.163
Schistosoma mansoni tyrosine kinase 0.0093 0.1138 0.3228
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0115 0.152 0.4086
Brugia malayi Protein kinase domain containing protein 0.0057 0.0494 0.0363
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0037 0.0136 0.0386
Echinococcus multilocularis mitogen activated protein kinase 0.0229 0.3524 1
Echinococcus multilocularis epidermal growth factor receptor 0.0093 0.1138 0.2957
Schistosoma mansoni tyrosine kinase 0.0057 0.0494 0.1401
Schistosoma mansoni serine/threonine protein kinase 0.0229 0.3524 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0057 0.0494 0.1056
Schistosoma mansoni cell adhesion molecule 0.0049 0.0346 0.0983
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0596 1 1
Echinococcus multilocularis 0.0052 0.0406 0.0796
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0037 0.0136 0.0386
Trypanosoma brucei protein kinase, putative 0.0229 0.3524 0.5
Echinococcus granulosus insulin receptor 0.0057 0.0494 0.1056
Echinococcus granulosus fibroblast growth factor receptor 4 0.0115 0.152 0.4086
Brugia malayi MAP kinase sur-1 0.0229 0.3524 0.3435
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0229 0.3524 0.5
Echinococcus multilocularis neuroglian 0.0049 0.036 0.066
Loa Loa (eye worm) TK/EGFR protein kinase 0.0171 0.2506 0.2403
Echinococcus granulosus neuroglian 0.0049 0.036 0.066
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0229 0.3524 0.5
Schistosoma mansoni tyrosine kinase 0.0093 0.1138 0.3228
Trichomonas vaginalis CMGC family protein kinase 0.0229 0.3524 0.5
Schistosoma mansoni nephrin 0.0049 0.036 0.1021
Loa Loa (eye worm) TK/INSR protein kinase 0.0057 0.0494 0.0363
Giardia lamblia Kinase, CMGC MAPK 0.0229 0.3524 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0229 0.3524 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0171 0.2506 0.6995
Echinococcus granulosus mitogen activated protein kinase 0.0229 0.3524 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0229 0.3524 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.057 0.044
Trichomonas vaginalis CMGC family protein kinase 0.0229 0.3524 0.5
Schistosoma mansoni tyrosine kinase 0.0089 0.1062 0.3014
Echinococcus multilocularis insulin receptor 0.0057 0.0494 0.1056
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0229 0.3524 0.5
Echinococcus granulosus roundabout 2 0.0061 0.057 0.1282

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 15 % Dual-site binding inhibition of AChE in Musca domestica (house fly) brain at 100 mg/l ChEMBL. 21114293

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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