Detailed information for compound 1097247

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.458 | Formula: C21H28N2O4
  • H donors: 1 H acceptors: 4 LogP: 5.47 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCc1ccc(cc1)OCC(=O)Cn1cnc(c1)C(=O)O
  • InChi: 1S/C21H28N2O4/c1-2-3-4-5-6-7-8-17-9-11-19(12-10-17)27-15-18(24)13-23-14-20(21(25)26)22-16-23/h9-12,14,16H,2-8,13,15H2,1H3,(H,25,26)
  • InChiKey: FKDOIKNFLOUWRC-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 IVA (cytosolic, calcium-dependent) Starlite/ChEMBL References
Rattus norvegicus Anandamide amidohydrolase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi amidase Get druggable targets OG5_127783 All targets in OG5_127783
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni fatty-acid amide hydrolase Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni amidase Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
Echinococcus granulosus fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.7 %
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Anandamide amidohydrolase   579 aa 499 aa 24.6 %
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni peptidylglycine monooxygenase 0.0131 0.2344 0.3606
Loa Loa (eye worm) hypothetical protein 0.0131 0.2344 1
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0131 0.2344 0.2344
Schistosoma mansoni dopamine-beta-monooxygenase 0.0248 0.6499 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0131 0.2344 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.2069 0.8826
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.2069 0.2069
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0131 0.2344 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.2069 0.2069
Schistosoma mansoni amidase 0.0123 0.2069 0.3183
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0131 0.2344 0.3606
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.2069 0.3183
Loa Loa (eye worm) hypothetical protein 0.0131 0.2344 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0066 0.0053 0.0226
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.2069 0.2069
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.2069 0.2069
Brugia malayi amidase 0.0123 0.2069 0.8826
Echinococcus multilocularis tumor protein p63 0.0346 1 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0131 0.2344 0.2344

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.9 uM Inhibition of FAAH from rat brain microsomes by RP-HPLC ChEMBL. 20005725
IC50 (binding) = 5.3 uM Inhibition of cPLA2 from human platelets by RP-HPLC ChEMBL. 20005725

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.