Detailed information for compound 1526841

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.497 | Formula: C25H24N6O2
  • H donors: 0 H acceptors: 4 LogP: 3.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(=O)n(c2c1cccn2)C1CCCN(C1)c1nccc(n1)c1cc2c(o1)cccc2
  • InChi: 1S/C25H24N6O2/c1-2-30-20-9-5-12-26-23(20)31(25(30)32)18-8-6-14-29(16-18)24-27-13-11-19(28-24)22-15-17-7-3-4-10-21(17)33-22/h3-5,7,9-13,15,18H,2,6,8,14,16H2,1H3
  • InChiKey: IDXXQXPYKNNTDF-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
Rattus norvegicus Anandamide amidohydrolase Starlite/ChEMBL References
Homo sapiens fatty acid amide hydrolase 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
Schistosoma mansoni amidase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi amidase 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 hypothetical protein 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 fatty-acid amide hydrolase 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
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 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
Echinococcus multilocularis 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.7 %
Leishmania major hypothetical protein, conserved fatty acid amide hydrolase 579 aa 471 aa 26.5 %
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Anandamide amidohydrolase   579 aa 499 aa 24.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0246 0.6939 0.6939
Loa Loa (eye worm) TK/INSR protein kinase 0.0106 0.1896 0.1896
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0132 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0106 0.1896 0.1896
Schistosoma mansoni hypothetical protein 0.0188 0.4856 0.4856
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0168 0.413 0.5389
Brugia malayi thymidylate synthase 0.0119 0.2381 0.2381
Brugia malayi hypothetical protein 0.0057 0.0132 0.0132
Schistosoma mansoni fatty-acid amide hydrolase 0.0246 0.6939 0.6939
Loa Loa (eye worm) solute carrier family 6 member 4 0.0101 0.1711 0.1711
Echinococcus multilocularis insulin receptor 0.0106 0.1896 0.1896
Loa Loa (eye worm) hypothetical protein 0.0101 0.1711 0.1711
Loa Loa (eye worm) norepinephrine transporter 0.0101 0.1711 0.1711
Echinococcus multilocularis thymidylate synthase 0.0119 0.2381 0.2381
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0168 0.413 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0178 0.449 0.449
Loa Loa (eye worm) hypothetical protein 0.0101 0.1711 0.1711
Echinococcus multilocularis epidermal growth factor receptor 0.0331 1 1
Schistosoma mansoni hypothetical protein 0.0188 0.4856 0.4856
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0246 0.6939 0.6939
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0168 0.413 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0222 0.6067 1
Schistosoma mansoni tyrosine kinase 0.0106 0.1896 0.1896
Mycobacterium ulcerans thymidylate synthase 0.0119 0.2381 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0101 0.1711 0.1711
Schistosoma mansoni tyrosine kinase 0.0178 0.449 0.449
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0222 0.6067 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0106 0.1896 0.1896
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0105 0.1866 0.2922
Schistosoma mansoni tyrosine kinase 0.0106 0.1896 0.1896
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0101 0.1711 0.1711
Brugia malayi Protein kinase domain containing protein 0.0106 0.1896 0.1896
Echinococcus granulosus thymidylate synthase 0.0119 0.2381 0.2381
Schistosoma mansoni amidase 0.0246 0.6939 0.6939
Schistosoma mansoni tyrosine kinase 0.0176 0.4422 0.4422
Echinococcus multilocularis serotonin transporter 0.0101 0.1711 0.1711
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0101 0.1711 0.1711
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0119 0.2381 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0117 0.2292 0.9606
Echinococcus granulosus geminin 0.0188 0.4856 0.4856
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0222 0.6067 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0246 0.6939 0.6939
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0119 0.2381 0.5
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0119 0.2381 0.2381
Echinococcus granulosus serotonin transporter 0.0101 0.1711 0.1711
Schistosoma mansoni tyrosine kinase 0.0331 1 1
Loa Loa (eye worm) serotonin transporter b 0.0101 0.1711 0.1711
Loa Loa (eye worm) hypothetical protein 0.0246 0.6939 0.6939
Loa Loa (eye worm) TK/EGFR protein kinase 0.0331 1 1
Schistosoma mansoni tyrosine kinase 0.0176 0.4422 0.4422
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0178 0.449 0.449
Treponema pallidum sodium- and chloride- dependent transporter 0.0101 0.1711 0.5
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0168 0.413 0.6736
Echinococcus granulosus epidermal growth factor receptor 0.0331 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1711 0.1711
Schistosoma mansoni tyrosine kinase 0.0176 0.4422 0.4422
Echinococcus granulosus insulin receptor 0.0106 0.1896 0.1896
Schistosoma mansoni tyrosine kinase 0.0178 0.449 0.449
Brugia malayi amidase 0.0246 0.6939 0.6939
Onchocerca volvulus 0.0119 0.2381 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0246 0.6939 0.6939
Loa Loa (eye worm) thymidylate synthase 0.0119 0.2381 0.2381
Leishmania major mitochondrial DNA polymerase beta 0.0222 0.6067 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0168 0.413 0.5389
Echinococcus granulosus epidermal growth factor receptor 0.0178 0.449 0.449
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0168 0.413 0.5
Echinococcus multilocularis geminin 0.0188 0.4856 0.4856
Onchocerca volvulus 0.0101 0.1711 0.7187
Echinococcus multilocularis 0.0103 0.1777 0.1777

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.02 uM Inhibition of human FAAH assessed as hydrolysis of anandamido-amino-methyl-cumarin ChEMBL. 21392988
IC50 (binding) > 10 uM Inhibition of rat FAAH assessed as hydrolysis of anandamido-amino-methyl-cumarin ChEMBL. 21392988

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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