Detailed information for compound 1841905

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.281 | Formula: C15H14F2N2O
  • H donors: 2 H acceptors: 1 LogP: 3.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(F)cccc1F)N[C@@H](c1ccccc1)C
  • InChi: 1S/C15H14F2N2O/c1-10(11-6-3-2-4-7-11)18-15(20)19-14-12(16)8-5-9-13(14)17/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1
  • InChiKey: JEVNAODBUQMLID-SNVBAGLBSA-N  

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
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Toxoplasma gondii isocitrate dehydrogenase 0.0222 0 0.5
Echinococcus granulosus anosmin 1 0.0414 0.6115 0.6115
Echinococcus multilocularis neuroglian 0.0414 0.6115 0.6115
Echinococcus multilocularis Netrin receptor DCC 0.0414 0.6115 0.6115
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0414 0.6115 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Brugia malayi Fibronectin type III domain containing protein 0.0414 0.6115 1
Echinococcus multilocularis usherin 0.0414 0.6115 0.6115
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0414 0.6115 0.6115
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0536 1 1
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0414 0.6115 0.6115
Schistosoma mansoni nephrin 0.0414 0.6115 0.6115
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Echinococcus multilocularis roundabout 2 0.0414 0.6115 0.6115
Brugia malayi hypothetical protein 0.0414 0.6115 1
Echinococcus multilocularis roundabout 2 0.0414 0.6115 0.6115
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Schistosoma mansoni hemicentin 0.0414 0.6115 0.6115
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Echinococcus multilocularis anosmin 1 0.0414 0.6115 0.6115
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0414 0.6115 0.6115
Loa Loa (eye worm) CAMK protein kinase 0.0414 0.6115 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0414 0.6115 1
Echinococcus multilocularis anosmin 1 0.0414 0.6115 0.6115
Brugia malayi protein unc-22 0.0414 0.6115 1
Brugia malayi Fibronectin type III domain containing protein 0.0414 0.6115 1
Schistosoma mansoni cell adhesion molecule 0.0414 0.6115 0.6115
Onchocerca volvulus 0.0414 0.6115 0.5
Schistosoma mansoni cell adhesion molecule 0.0414 0.6115 0.6115
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0222 0 0.5
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0414 0.6115 0.6115
Schistosoma mansoni factor for adipocyte differentiation 0.0414 0.6115 0.6115
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0414 0.6115 1
Brugia malayi Lethal protein 805 0.0414 0.6115 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0414 0.6115 0.6115
Schistosoma mansoni protein tyrosine phosphatase 0.0414 0.6115 0.6115
Onchocerca volvulus 0.0414 0.6115 0.5
Schistosoma mansoni myosin-binding protein-related 0.0414 0.6115 0.6115
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Onchocerca volvulus 0.0414 0.6115 0.5
Onchocerca volvulus 0.0414 0.6115 0.5
Brugia malayi myotactin form B 0.0414 0.6115 1
Loa Loa (eye worm) lethal protein 805 0.0414 0.6115 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0414 0.6115 0.6115
Leishmania major hypothetical protein, conserved 0.0414 0.6115 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0414 0.6115 1
Onchocerca volvulus 0.0414 0.6115 0.5
Echinococcus granulosus anosmin 1 0.0414 0.6115 0.6115
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0414 0.6115 0.6115
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0414 0.6115 1
Brugia malayi Protein-tyrosine phosphatase 0.0414 0.6115 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0414 0.6115 0.6115
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Echinococcus granulosus G1Y162 protein 0.0414 0.6115 0.6115
Schistosoma mansoni hypothetical protein 0.0414 0.6115 0.6115
Schistosoma mansoni titin 0.0414 0.6115 0.6115
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Schistosoma mansoni tripartite motif protein trim9 0.0414 0.6115 0.6115
Schistosoma mansoni cell adhesion molecule 0.0414 0.6115 0.6115
Schistosoma mansoni hypothetical protein 0.0414 0.6115 0.6115
Onchocerca volvulus 0.0414 0.6115 0.5
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0414 0.6115 0.6115
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Brugia malayi Fibronectin type III domain containing protein 0.0414 0.6115 1
Schistosoma mansoni titin 0.0414 0.6115 0.6115
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Onchocerca volvulus 0.0414 0.6115 0.5
Echinococcus granulosus cell adhesion molecule 0.0414 0.6115 0.6115
Echinococcus granulosus Netrin receptor DCC 0.0414 0.6115 0.6115
Echinococcus granulosus EG95 0.0414 0.6115 0.6115
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Schistosoma mansoni cell adhesion molecule 0.0414 0.6115 0.6115
Onchocerca volvulus 0.0414 0.6115 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0414 0.6115 0.6115
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Schistosoma mansoni hypothetical protein 0.0414 0.6115 0.6115
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Brugia malayi Lethal protein 805 0.0414 0.6115 1
Echinococcus granulosus Fibronectin type III domain containing protein 0.0414 0.6115 0.6115
Brugia malayi Fibronectin type III domain containing protein 0.0414 0.6115 1
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0414 0.6115 0.6115
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0414 0.6115 1
Onchocerca volvulus 0.0414 0.6115 0.5
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0414 0.6115 0.6115
Schistosoma mansoni cell adhesion molecule 0.0414 0.6115 0.6115
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0414 0.6115 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0414 0.6115 1
Echinococcus granulosus fibronectin type III domain-containing protein 0.0414 0.6115 0.6115
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Brugia malayi Fibronectin type III domain containing protein 0.0414 0.6115 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0414 0.6115 1
Onchocerca volvulus 0.0414 0.6115 0.5
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0414 0.6115 0.6115
Schistosoma mansoni ephrin receptor 0.0536 1 1
Echinococcus multilocularis anosmin 1 0.0414 0.6115 0.6115
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Brugia malayi Fibronectin type III domain containing protein 0.0414 0.6115 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0414 0.6115 0.6115
Echinococcus granulosus usherin 0.0414 0.6115 0.6115
Echinococcus granulosus contactin 0.0414 0.6115 0.6115
Echinococcus multilocularis Fibronectin, type III 0.0414 0.6115 0.6115
Loa Loa (eye worm) projectin 0.0414 0.6115 1
Echinococcus granulosus roundabout 2 0.0414 0.6115 0.6115
Echinococcus granulosus Netrin receptor DCC 0.0414 0.6115 0.6115
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0414 0.6115 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Schistosoma mansoni serine/threonine protein kinase 0.0414 0.6115 0.6115
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0414 0.6115 1
Brugia malayi hypothetical protein 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0414 0.6115 0.6115
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0414 0.6115 0.6115
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0222 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Onchocerca volvulus 0.0414 0.6115 0.5
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0414 0.6115 0.6115
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Schistosoma mansoni factor for adipocyte differentiation 0.0414 0.6115 0.6115
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0414 0.6115 0.6115
Onchocerca volvulus 0.0414 0.6115 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0222 0 0.5
Loa Loa (eye worm) myotactin form A 0.0414 0.6115 1
Schistosoma mansoni titin 0.0414 0.6115 0.6115
Echinococcus granulosus titin 0.0414 0.6115 0.6115
Echinococcus multilocularis titin 0.0414 0.6115 0.6115
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Echinococcus granulosus roundabout 2 0.0414 0.6115 0.6115
Echinococcus granulosus roundabout 2 0.0414 0.6115 0.6115
Echinococcus multilocularis titin 0.0414 0.6115 0.6115
Echinococcus multilocularis Netrin receptor DCC 0.0414 0.6115 0.6115
Echinococcus granulosus neuroglian 0.0414 0.6115 0.6115
Trypanosoma cruzi hypothetical protein, conserved 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0414 0.6115 0.6115
Schistosoma mansoni nephrin 0.0414 0.6115 0.6115
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0414 0.6115 0.6115
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0414 0.6115 0.6115
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0414 0.6115 0.6115
Echinococcus granulosus titin 0.0414 0.6115 0.6115
Brugia malayi Immunoglobulin I-set domain containing protein 0.0414 0.6115 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0414 0.6115 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0414 0.6115 1
Schistosoma mansoni factor for adipocyte differentiation 0.0414 0.6115 0.6115
Echinococcus multilocularis transfer RNA-Phe 0.0414 0.6115 0.6115
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0414 0.6115 1
Echinococcus granulosus Fibronectin type III 0.0414 0.6115 0.6115
Loa Loa (eye worm) UNCoordinated family member 0.0414 0.6115 1
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0414 0.6115 0.6115
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0222 0 0.5
Echinococcus granulosus nephrin 0.0414 0.6115 0.6115
Echinococcus granulosus anosmin 1 0.0414 0.6115 0.6115
Onchocerca volvulus 0.0414 0.6115 0.5
Brugia malayi myotactin form A 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6115 1
Onchocerca volvulus 0.0414 0.6115 0.5
Echinococcus multilocularis cell adhesion molecule 0.0414 0.6115 0.6115
Schistosoma mansoni neuroglian 0.0414 0.6115 0.6115
Brugia malayi SPRY domain containing protein 0.0414 0.6115 1
Echinococcus multilocularis roundabout 2 0.0414 0.6115 0.6115

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 0 % Phytotoxicity against transplanted Oryza sativa (rice) seedlings assessed as phytotoxic activity ratings (0- no effect to 5-complete killing rating scale) at 100 g/a measured after 3 weeks post compound treatment under green house conditions ChEMBL. 27393589
Activity (ADMET) = 100 % Effect on Oryza sativa (rice) assessed as growth rate at 1 uM relative to control ChEMBL. 27393060

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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