Detailed information for compound 1756930

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.296 | Formula: C18H11F2N3O
  • H donors: 2 H acceptors: 2 LogP: 3.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1n[nH]cc1/C=C/1\C(=O)Nc2c1cc(F)cc2
  • InChi: 1S/C18H11F2N3O/c19-12-3-1-10(2-4-12)17-11(9-21-23-17)7-15-14-8-13(20)5-6-16(14)22-18(15)24/h1-9H,(H,21,23)(H,22,24)/b15-7-
  • InChiKey: BWPNRDXCSMGGHL-CHHVJCJISA-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
Trypanosoma cruzi WD domain, G-beta repeat/PFU (PLAA family ubiquitin binding), putative 0.0036 0.0343 0.5
Onchocerca volvulus 0.0025 0.0005 0.5
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0329 0.8776 0.8775
Schistosoma mansoni thyroid hormone receptor 0.0151 0.3656 0.4166
Echinococcus multilocularis thyroid hormone receptor alpha 0.0151 0.3656 0.3652
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.2963 0.2959
Schistosoma mansoni hypothetical protein 0.0087 0.1808 0.206
Schistosoma mansoni cationic amino acid transporter 0.0025 0.0005 0.0006
Brugia malayi WD domain containing protein 0.0036 0.0343 0.234
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0329 0.8776 0.8775
Loa Loa (eye worm) hypothetical protein 0.0075 0.1448 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0162 0.3963 0.4516
Schistosoma mansoni cationic amino acid transporter 0.0025 0.0005 0.0006
Echinococcus multilocularis alkaline phosphatase 0.0329 0.8776 0.8775
Schistosoma mansoni cationic amino acid transporter 0.0025 0.0005 0.0006
Schistosoma mansoni cationic amino acid transporter 0.0025 0.0005 0.0006
Leishmania major hypothetical protein, conserved 0.0036 0.0343 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.2963 0.2959
Trypanosoma brucei WD domain, G-beta repeat/PFU (PLAA family ubiquitin binding), putative 0.0025 0 0.5
Echinococcus multilocularis phospholipase A 2 activating protein 0.0036 0.0343 0.0338
Trypanosoma cruzi WD domain, G-beta repeat/PFU (PLAA family ubiquitin binding), putative 0.0036 0.0343 0.5
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0371 1 1
Schistosoma mansoni hypothetical protein 0.0171 0.422 0.4809
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0329 0.8776 0.8775
Trichomonas vaginalis phospholipase A-2-activating protein, putative 0.0036 0.0343 1
Schistosoma mansoni alkaline phosphatase 0.0329 0.8776 1
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0329 0.8776 0.8775
Schistosoma mansoni serine-rich repeat protein 0.0087 0.1808 0.206
Loa Loa (eye worm) amino acid permease 0.0025 0.0005 0.0037
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0329 0.8776 0.8775
Echinococcus granulosus alkaline phosphatase 0.0329 0.8776 0.8775
Schistosoma mansoni thyroid hormone receptor 0.0151 0.3656 0.4166
Schistosoma mansoni hypothetical protein 0.0052 0.08 0.0912
Loa Loa (eye worm) amino acid permease 0.0025 0.0005 0.0037
Plasmodium falciparum polyubiquitin binding protein, putative 0.0036 0.0343 0.5
Echinococcus granulosus phospholipase A 2 activating protein 0.0036 0.0343 0.0338
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0082 0.1647 0.1877
Schistosoma mansoni alkaline phosphatase 0.0329 0.8776 1
Entamoeba histolytica amino acid permease, putative 0.0025 0.0005 0.5
Brugia malayi Cache domain containing protein 0.0075 0.1448 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0169 0.4162 0.4159
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0169 0.4162 0.4159
Toxoplasma gondii PUL domain-containing protein 0.0036 0.0343 0.5
Echinococcus granulosus intestinal type alkaline phosphatase 0.0329 0.8776 0.8775
Schistosoma mansoni hypothetical protein 0.0127 0.2963 0.3376

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 10 % Inhibition of RSK2 (unknown origin) using AKRRRLSSLRA as substrate at 10 uM after 60 mins by fluorescence assay relative to control ChEMBL. 23434140

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

1 literature reference was collected for this gene.

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