Detailed information for compound 1506694

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.317 | Formula: C18H14F3N3O3
  • H donors: 0 H acceptors: 3 LogP: 3.29 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)C(Cn1cnc(c1)[N+](=O)[O-])OCc1ccc(cc1)F
  • InChi: 1S/C18H14F3N3O3/c19-13-3-1-12(2-4-13)10-27-17(15-6-5-14(20)7-16(15)21)8-23-9-18(22-11-23)24(25)26/h1-7,9,11,17H,8,10H2
  • InChiKey: JKCSIESBXVQIBA-UHFFFAOYSA-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
Schistosoma mansoni titin 0.0068 0.16 0.1905
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0072 0.2065 0.2065
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0085 0.3665 0.3665
Brugia malayi hypothetical protein 0.0108 0.6335 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0071 0.1924 0.1924
Echinococcus multilocularis roundabout 2 0.0085 0.3665 0.3665
Schistosoma mansoni nephrin 0.0085 0.3665 0.4364
Echinococcus multilocularis neuroglian 0.0085 0.3665 0.3665
Echinococcus multilocularis transfer RNA-Phe 0.0068 0.16 0.16
Loa Loa (eye worm) projectin 0.0068 0.16 0.2526
Echinococcus granulosus neuroglian 0.0085 0.3665 0.3665
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0085 0.3665 0.5786
Onchocerca volvulus 0.0068 0.16 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.16 0.2526
Brugia malayi protein unc-22 0.0068 0.16 0.2526
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.16 0.2526
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0085 0.3665 0.3665
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.16 0.2526
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0085 0.3665 0.3665
Loa Loa (eye worm) hypothetical protein 0.0108 0.6335 1
Schistosoma mansoni ephrin receptor 0.0071 0.1904 0.2267
Loa Loa (eye worm) hypothetical protein 0.0084 0.3524 0.5563
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.2065 0.326
Schistosoma mansoni titin 0.0068 0.16 0.1905
Loa Loa (eye worm) hypothetical protein 0.0108 0.6335 1
Onchocerca volvulus 0.0068 0.16 1
Schistosoma mansoni nephrin 0.0121 0.7935 0.9446
Loa Loa (eye worm) hypothetical protein 0.0108 0.6335 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0085 0.3665 0.5786
Echinococcus multilocularis titin 0.0068 0.16 0.16
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0068 0.16 0.2526
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0087 0.3828 0.6043
Loa Loa (eye worm) hypothetical protein 0.0084 0.3524 0.5563
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.16 0.2526
Echinococcus granulosus contactin 0.0085 0.3665 0.3665
Schistosoma mansoni hypothetical protein 0.0068 0.16 0.1905
Loa Loa (eye worm) CAMK protein kinase 0.0068 0.16 0.2526
Schistosoma mansoni cell adhesion molecule 0.0125 0.84 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.16 0.2526
Schistosoma mansoni cell adhesion molecule 0.0068 0.16 0.1905
Schistosoma mansoni cell adhesion molecule 0.0068 0.16 0.1905
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0085 0.3665 0.4364
Echinococcus granulosus titin 0.0068 0.16 0.16
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0085 0.3665 0.5786
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0072 0.2065 0.326
Loa Loa (eye worm) hypothetical protein 0.0071 0.1924 0.3037
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0068 0.16 0.16
Loa Loa (eye worm) hypothetical protein 0.0068 0.16 0.2526
Echinococcus granulosus titin 0.0068 0.16 0.16
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.16 0.2526
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0071 0.1904 0.1904
Echinococcus granulosus twitchin 0.0067 0.1459 0.1459
Echinococcus multilocularis roundabout 2 0.0085 0.3665 0.3665
Schistosoma mansoni cell adhesion molecule 0.0085 0.3665 0.4364
Echinococcus granulosus roundabout 2 0.0085 0.3665 0.3665
Brugia malayi Immunoglobulin I-set domain containing protein 0.0087 0.3828 0.6043
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.16 0.2526
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0068 0.16 0.2526
Brugia malayi Immunoglobulin I-set domain containing protein 0.0085 0.3665 0.5786
Schistosoma mansoni hemicentin 0.0068 0.16 0.1905
Loa Loa (eye worm) hypothetical protein 0.0085 0.3665 0.5786
Brugia malayi Immunoglobulin I-set domain containing protein 0.0108 0.6335 1
Schistosoma mansoni cell adhesion molecule 0.0085 0.3665 0.4364
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.16 0.2526
Echinococcus granulosus roundabout 2 0.0085 0.3665 0.3665
Onchocerca volvulus 0.0068 0.16 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0068 0.16 0.2526
Echinococcus granulosus nephrin 0.0068 0.16 0.16
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0072 0.2065 0.2065
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.16 0.1905
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0085 0.3665 0.3665
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0071 0.1904 0.1904
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0068 0.16 0.2526
Brugia malayi Immunoglobulin I-set domain containing protein 0.0085 0.3665 0.5786
Schistosoma mansoni myosin-binding protein-related 0.0068 0.16 0.1905
Echinococcus multilocularis neuroglian 0.0067 0.1459 0.1459
Schistosoma mansoni neuroglian 0.0085 0.3665 0.4364
Brugia malayi Fibronectin type III domain containing protein 0.0108 0.6335 1
Echinococcus granulosus neuroglian 0.0067 0.1459 0.1459
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0085 0.3665 0.3665

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 256 ug ml-1 Antifungal activity against Candida albicans ATCC 90027 after 48 hrs by broth microdilution method ChEMBL. 21277200
MIC (functional) > 256 ug ml-1 Antitubercular activity against multidrug-resistant Mycobacterium tuberculosis H37Rv after 7 days by alamar blue assay ChEMBL. 21277200

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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