Detailed information for compound 1730979

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.374 | Formula: C17H14FN3O4S
  • H donors: 3 H acceptors: 5 LogP: 2.07 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC(=O)c1cc(O)c2c(n1)c(ccc2)NS(=O)(=O)C
  • InChi: 1S/C17H14FN3O4S/c1-26(24,25)21-13-4-2-3-12-15(22)9-14(20-16(12)13)17(23)19-11-7-5-10(18)6-8-11/h2-9,21H,1H3,(H,19,23)(H,20,22)
  • InChiKey: IUUCVBYYDKECBK-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase A2, group VII (platelet-activating factor acetylhydrolase, plasma) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania infantum phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma cruzi phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma cruzi phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Loa Loa (eye worm) platelet-activating factor acetylhydrolase Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania major phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma brucei phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania braziliensis phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma brucei gambiense phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania mexicana phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania donovani phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma congolense phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein Get druggable targets OG5_129351 All targets in OG5_129351

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 C-8 sterol isomerase, putative 0.036 0.883 0.8457
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5867 1
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5867 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.036 0.883 0.883
Onchocerca volvulus 0.0402 1 1
Loa Loa (eye worm) hypothetical protein 0.036 0.883 0.883
Onchocerca volvulus 0.0402 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5867 1
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.3826 0.1855
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3624 0.1027
Echinococcus granulosus geminin 0.0168 0.3367 0.5
Onchocerca volvulus 0.0402 1 1
Leishmania major phospholipase A1, putative 0.0402 1 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.3827 0.3827
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.0402 1 1
Giardia lamblia DNA repair protein RAD52 0.0345 0.8384 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5867 1
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.3826 0.1855
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5867 1
Schistosoma mansoni hypothetical protein 0.0168 0.3367 0.5
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0256 0.5867 0.5867
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0256 0.5867 0.5867
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0345 0.8384 1
Leishmania major C-8 sterol isomerase-like protein 0.036 0.883 0.8457
Schistosoma mansoni hypothetical protein 0.0168 0.3367 0.5
Trypanosoma cruzi phospholipase A1, putative 0.0402 1 1
Trypanosoma brucei phospholipase A1, putative 0.0402 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5867 1
Onchocerca volvulus Glucosylceramidase homolog 0.0168 0.3367 0.125
Echinococcus multilocularis geminin 0.0168 0.3367 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.036 0.883 0.8457
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3624 0.1027
Trypanosoma cruzi phospholipase A1, putative 0.0402 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 26 nM Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr ChEMBL. 23333209

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.