Detailed information for compound 1732605

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.398 | Formula: C17H16N4O4S
  • H donors: 4 H acceptors: 5 LogP: 1.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(O)c2c(n1)c(ccc2)NS(=O)(=O)C)Nc1ccccc1N
  • InChi: 1S/C17H16N4O4S/c1-26(24,25)21-13-8-4-5-10-15(22)9-14(19-16(10)13)17(23)20-12-7-3-2-6-11(12)18/h2-9,21H,18H2,1H3,(H,19,22)(H,20,23)
  • InChiKey: FDZXVNSHJMLQEK-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
Leishmania mexicana phospholipase A2-like protein, putative 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 cruzi phospholipase A1, putative 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 brucei 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
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus 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
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
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
Leishmania braziliensis phospholipase A1, putative 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
Echinococcus granulosus poly ADP ribose polymerase 1 0.0139 0.3022 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.2141 0.2141
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0055 0.0787 0.0787
Onchocerca volvulus 0.0402 1 1
Trypanosoma brucei phospholipase A1, putative 0.0402 1 1
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0032 0.018 0.0596
Brugia malayi WGR domain containing protein 0.0076 0.136 0.136
Leishmania major phospholipase A1, putative 0.0402 1 0.5
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0066 0.1087 0.3596
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0144 0.3166 0.5
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0076 0.136 0.4501
Trypanosoma cruzi phospholipase A1, putative 0.0402 1 1
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.0402 1 1
Onchocerca volvulus 0.0402 1 1
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0139 0.3022 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0076 0.136 0.4501
Trypanosoma cruzi phospholipase A1, putative 0.0402 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.136 0.136
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.4225 0.3316
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.4225 0.3316
Echinococcus granulosus poly adp ribose polymerase 2 0.0076 0.136 0.4501
Echinococcus granulosus WGR domain containing protein 0.0043 0.0479 0.1586
Echinococcus granulosus poly (ADP ribose) polymerase 0.0043 0.0479 0.1586
Brugia malayi WGR domain containing protein 0.0139 0.3022 0.3022
Onchocerca volvulus 0.0402 1 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0139 0.3022 1
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0139 0.3022 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 39 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.