Detailed information for compound 518265

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.432 | Formula: C20H26N2O3
  • H donors: 0 H acceptors: 2 LogP: 3.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CN1CCC(CC1)CCCC(=O)c1ncco1
  • InChi: 1S/C20H26N2O3/c1-24-18-7-5-17(6-8-18)15-22-12-9-16(10-13-22)3-2-4-19(23)20-21-11-14-25-20/h5-8,11,14,16H,2-4,9-10,12-13,15H2,1H3
  • InChiKey: JIZAOQYMDCCYJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
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
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
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
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
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
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
Schistosoma mansoni fatty-acid amide hydrolase 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 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major hypothetical protein, conserved fatty acid amide hydrolase 579 aa 471 aa 26.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0016 0.0042 0.0042
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0493 1
Mycobacterium ulcerans peptide amidase, GatA 0.0015 0.0024 0.0046
Brugia malayi Subtilase family protein 0.0261 0.475 0.475
Mycobacterium tuberculosis Probable dehydrogenase 0.009 0.1458 0.7761
Brugia malayi Amidase family protein 0.0015 0.0024 0.0024
Mycobacterium ulcerans hypothetical protein 0.0112 0.1879 0.3674
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.01 0.165 0.8783
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0015 0.0024 0.0125
Entamoeba histolytica hypothetical protein 0.0036 0.0424 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0208 0.4229
Mycobacterium ulcerans amidase 0.0015 0.0024 0.0046
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0424 0.0892
Mycobacterium tuberculosis Probable reductase 0.009 0.1458 0.7761
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0015 0.0024 0.0478
Leishmania major trypanothione reductase 0.0039 0.0493 0.2622
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.009 0.1458 0.882
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0261 0.475 1
Brugia malayi putative amidase 0.0015 0.0024 0.0024
Mycobacterium tuberculosis Probable oxidoreductase 0.01 0.165 0.8783
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.2099 0.7251
Trichomonas vaginalis glutathione reductase, putative 0.0014 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0493 0.2622
Trypanosoma cruzi amidase, putative 0.0015 0.0024 0.0125
Brugia malayi amidase 0.0123 0.2099 0.2099
Schistosoma mansoni hypothetical protein 0.0165 0.2895 0.6094
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0208 0.1109
Loa Loa (eye worm) subtilase 0.0261 0.475 0.4738
Entamoeba histolytica hypothetical protein 0.0036 0.0424 0.5
Echinococcus multilocularis geminin 0.0165 0.2895 1
Plasmodium vivax glutathione reductase, putative 0.0039 0.0493 1
Mycobacterium ulcerans hydrolase/amidase 0.028 0.5114 1
Brugia malayi glutathione reductase 0.0039 0.0493 0.0493
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0208 0.1109
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0493 0.047
Giardia lamblia NADH oxidase lateral transfer candidate 0.0014 0 0.5
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0098 0.1615 0.5579
Schistosoma mansoni fatty-acid amide hydrolase 0.0015 0.0024 0.005
Brugia malayi Thioredoxin reductase 0.0039 0.0493 0.0493
Mycobacterium ulcerans amidase 0.0015 0.0024 0.0046
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0015 0.0024 0.0125
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1879 1
Schistosoma mansoni hypothetical protein 0.0165 0.2895 0.6094
Loa Loa (eye worm) hypothetical protein 0.0123 0.2099 0.2081
Plasmodium falciparum glutathione reductase 0.0039 0.0493 0.2622
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0015 0.0024 0.0081
Mycobacterium ulcerans amidase 0.0015 0.0024 0.0046
Mycobacterium ulcerans amidase 0.0015 0.0024 0.0046
Brugia malayi Amidase family protein 0.0015 0.0024 0.0024
Brugia malayi MH2 domain containing protein 0.0115 0.195 0.195
Leishmania major hypothetical protein, conserved 0.0112 0.1879 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.2099 0.7251
Loa Loa (eye worm) glutathione reductase 0.0039 0.0493 0.047
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0024 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.009 0.1458 0.7761
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0208 0.1109
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0015 0.0024 0.0125
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.195 0.1931
Mycobacterium tuberculosis Conserved protein 0.0112 0.1879 1
Trypanosoma cruzi amidase, putative 0.0015 0.0024 0.0125
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0503 0.1736
Treponema pallidum mcbG protein 0.0112 0.1879 1
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1879 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.009 0.1458 0.7761
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0024 0.005
Leishmania major hypothetical protein, conserved 0.0024 0.0208 0.1109
Plasmodium falciparum thioredoxin reductase 0.0039 0.0493 0.2622
Trichomonas vaginalis mercuric reductase, putative 0.0014 0 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.009 0.1458 0.7761
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.0424 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0493 0.2622
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.195 0.1931
Trypanosoma brucei trypanothione reductase 0.0039 0.0493 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0112 0.1879 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0208 0.0185
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.2099 0.4419
Mycobacterium ulcerans amidase 0.0015 0.0024 0.0046
Schistosoma mansoni hypothetical protein 0.0036 0.0424 0.0892
Brugia malayi hypothetical protein 0.0036 0.0424 0.0424
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.009 0.1458 0.7761
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0024 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0424 0.1464
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0424 0.1464
Schistosoma mansoni amidase 0.0123 0.2099 0.4419
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0208 0.4229
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0015 0.0024 0.0125
Echinococcus granulosus geminin 0.0165 0.2895 1
Entamoeba histolytica hypothetical protein 0.0036 0.0424 0.5
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0098 0.1615 0.5579
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0024 0.0125
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.2099 0.7251
Echinococcus granulosus fatty acid amide hydrolase 1 0.0015 0.0024 0.0081
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0024 0.0046
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0015 0.0024 0.0081
Leishmania major hypothetical protein, conserved 0.0015 0.0024 0.0125
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0015 0.0024 0.0478
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.2099 0.7251
Leishmania major hypothetical protein, conserved 0.0112 0.1879 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0208 0.1109
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0015 0.0024 0.0125
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.01 0.165 0.8783
Brugia malayi hypothetical protein 0.0024 0.0208 0.0208
Toxoplasma gondii thioredoxin reductase 0.0039 0.0493 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0024 0.0125
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0503 0.1736
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0208 0.4229
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0015 0.0024 0.0081
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.01 0.165 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 130 nM Inhibition of human FAAH ChEMBL. 18289847
IC50 (binding) = 130 nM Inhibition of human FAAH ChEMBL. 18289847

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

No external resources registered 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.