Detailed information for compound 1507648

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 257.169 | Formula: C10H6F3N3O2
  • H donors: 2 H acceptors: 3 LogP: 3.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/C(=O)Nc1cccc(c1)C(F)(F)F)\C#N
  • InChi: 1S/C10H6F3N3O2/c11-10(12,13)6-2-1-3-7(4-6)15-9(17)8(5-14)16-18/h1-4,18H,(H,15,17)/b16-8+
  • InChiKey: NUOTTYMUCUXBHF-LZYBPNLTSA-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
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0302 0.2972 0.2972
Brugia malayi Fibronectin type III domain containing protein 0.0367 0.5599 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.5599 1
Schistosoma mansoni ephrin receptor 0.0251 0.092 0.0331
Echinococcus granulosus titin 0.0245 0.0681 0.0681
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0245 0.0681 0.0922
Echinococcus granulosus contactin 0.0302 0.2972 0.2972
Schistosoma mansoni nephrin 0.042 0.7709 0.9748
Loa Loa (eye worm) hypothetical protein 0.0367 0.5599 1
Echinococcus granulosus roundabout 2 0.0302 0.2972 0.2972
Loa Loa (eye worm) hypothetical protein 0.0285 0.2291 0.3894
Echinococcus granulosus roundabout 2 0.0302 0.2972 0.2972
Loa Loa (eye worm) projectin 0.0245 0.0681 0.0922
Echinococcus multilocularis titin 0.0245 0.0681 0.0681
Schistosoma mansoni cell adhesion molecule 0.0424 0.789 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0302 0.2972 0.2972
Echinococcus multilocularis roundabout 2 0.0302 0.2972 0.2972
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0245 0.0681 0.0922
Brugia malayi Immunoglobulin I-set domain containing protein 0.0367 0.5599 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0291 0.253 0.376
Loa Loa (eye worm) hypothetical protein 0.0245 0.0681 0.0922
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0232 0.0181 0.0181
Echinococcus multilocularis roundabout 2 0.0302 0.2972 0.2972
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0302 0.2972 0.2972
Schistosoma mansoni cell adhesion molecule 0.0302 0.2972 0.3178
Onchocerca volvulus 0.0245 0.0681 0.5
Loa Loa (eye worm) hypothetical protein 0.0367 0.5599 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0251 0.092 0.092
Brugia malayi Immunoglobulin I-set domain containing protein 0.0302 0.2972 0.4658
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0245 0.0681 0.0922
Loa Loa (eye worm) hypothetical protein 0.0285 0.2291 0.3894
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0249 0.0862 0.1257
Schistosoma mansoni cell adhesion molecule 0.0302 0.2972 0.3178
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0302 0.2972 0.5151
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0302 0.2972 0.3178
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0302 0.2972 0.5151
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0291 0.253 0.4335
Onchocerca volvulus 0.0245 0.0681 0.5
Echinococcus multilocularis transfer RNA-Phe 0.0245 0.0681 0.0681
Echinococcus granulosus nephrin 0.0245 0.0681 0.0681
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0302 0.2972 0.2972
Echinococcus granulosus titin 0.0245 0.0681 0.0681
Brugia malayi Immunoglobulin I-set domain containing protein 0.0302 0.2972 0.4658
Loa Loa (eye worm) hypothetical protein 0.0245 0.0681 0.0922
Echinococcus multilocularis neuroglian 0.0302 0.2972 0.2972
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0302 0.2972 0.2972
Echinococcus granulosus neuroglian 0.0302 0.2972 0.2972
Onchocerca volvulus 0.0245 0.0681 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0302 0.2972 0.4658
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0245 0.0681 0.0922
Loa Loa (eye worm) CAMK protein kinase 0.0245 0.0681 0.0922
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0245 0.0681 0.0681
Schistosoma mansoni neuroglian 0.0302 0.2972 0.3178
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0251 0.092 0.092
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0249 0.0862 0.0862
Schistosoma mansoni nephrin 0.0302 0.2972 0.3178
Loa Loa (eye worm) hypothetical protein 0.0302 0.2972 0.5151
Brugia malayi Immunoglobulin I-set domain containing protein 0.0249 0.0862 0.0369
Brugia malayi hypothetical protein 0.0367 0.5599 1
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0249 0.0862 0.0862

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of DHODH in Wistar rat liver homogenates at 100 uM by DCIP reduction assay ChEMBL. 21109332

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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