Detailed information for compound 1512746

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.464 | Formula: C26H22N2O3
  • H donors: 0 H acceptors: 3 LogP: 4.76 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ncc(o1)c1ccccn1)[C@H]1CCc2c(C1)ccc(c2)OCc1ccccc1
  • InChi: 1S/C26H22N2O3/c29-25(26-28-16-24(31-26)23-8-4-5-13-27-23)21-10-9-20-15-22(12-11-19(20)14-21)30-17-18-6-2-1-3-7-18/h1-8,11-13,15-16,21H,9-10,14,17H2/t21-/m0/s1
  • InChiKey: PSMKDAOLSHXOGN-NRFANRHFSA-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 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 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
Schistosoma mansoni fatty-acid amide hydrolase 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
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], 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
Echinococcus multilocularis 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 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
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
Echinococcus multilocularis 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
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
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0015 0.0007 0.0001
Schistosoma mansoni cyclin B 0.0035 0.017 0.0316
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0157 1
Trypanosoma cruzi cyclin, putative 0.0035 0.017 0.4195
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0361 0.274 0.3826
Echinococcus granulosus microtubule associated protein 2 0.067 0.5181 1
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0361 0.274 1
Schistosoma mansoni hypothetical protein 0.0047 0.0259 0.0489
Trypanosoma brucei mitotic cyclin 6 0.0035 0.017 0.4195
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.031
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0083 0.1953
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0083 0.0264
Loa Loa (eye worm) hypothetical protein 0.005 0.0286 0.168
Echinococcus multilocularis microtubule associated protein 2 0.067 0.5181 0.8481
Echinococcus granulosus muscleblind protein 0.0145 0.1035 0.1988
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0862 0.1654
Schistosoma mansoni hypothetical protein 0.0164 0.1189 0.2285
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0395 1
Entamoeba histolytica hypothetical protein 0.0035 0.0165 0.2491
Trichomonas vaginalis cyclin B, putative 0.0035 0.017 0.7899
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0083 0.1953
Loa Loa (eye worm) hypothetical protein 0.0096 0.0644 0.3784
Loa Loa (eye worm) hypothetical protein 0.0024 0.0083 0.0485
Schistosoma mansoni hypothetical protein 0.0035 0.0165 0.0307
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0259 0.1522
Brugia malayi hypothetical protein 0.0229 0.1703 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.001 0.0098
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0213 0.04
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0213 0.04
Trichomonas vaginalis cyclin B, putative 0.0035 0.017 0.7899
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0644 0.1233
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0395 0.0638
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0157 0.7301
Leishmania major basic transcription factor 3a, putative 0.0034 0.0157 0.3877
Schistosoma mansoni amidase 0.0123 0.0862 0.1654
Trypanosoma cruzi cyclin, putative 0.0035 0.017 0.4195
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0395 0.0752
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0862 0.1403
Schistosoma mansoni hypothetical protein 0.004 0.0202 0.0378
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0007 0.0001
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0395 1
Leishmania major hypothetical protein, conserved 0.0024 0.0083 0.1953
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.001 0.0007
Echinococcus granulosus intermediate filament protein 0.0026 0.0096 0.0174
Brugia malayi putative amidase 0.0015 0.0007 0.0039
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1035 0.1686
Brugia malayi MH2 domain containing protein 0.0116 0.0805 0.4726
Trichomonas vaginalis cyclins, putative 0.0035 0.017 0.7899
Echinococcus multilocularis protein patched 0.0041 0.0213 0.0339
Trichomonas vaginalis cyclin B, putative 0.0035 0.017 0.7899
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0096 0.0564
Brugia malayi Cyclin, N-terminal domain containing protein 0.0015 0.0006 0.0036
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0919 0.715 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0213 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0165 0.0307
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0182 0.034
Loa Loa (eye worm) hypothetical protein 0.0026 0.0092 0.0542
Brugia malayi intermediate filament protein 0.0026 0.0096 0.0564
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0644 0.1046
Brugia malayi isocitrate dehydrogenase 0.0015 0.001 0.0061
Trichomonas vaginalis cyclin A, putative 0.0035 0.017 0.7899
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.0862 0.1654
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0185 0.1352 0.1884
Loa Loa (eye worm) hypothetical protein 0.0123 0.0862 0.5064
Echinococcus granulosus cyclin B 0.0035 0.017 0.0316
Loa Loa (eye worm) amidase 0.0015 0.0007 0.0039
Echinococcus granulosus lamin 0.0026 0.0096 0.0174
Leishmania major cyclin 0.0035 0.017 0.4195
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.001 0.0098
Schistosoma mansoni lamin 0.0026 0.0096 0.0174
Trichomonas vaginalis cyclins, putative 0.0035 0.017 0.7899
Loa Loa (eye worm) cyclin domain-containing protein 0.0015 0.0006 0.0036
Brugia malayi hypothetical protein 0.0119 0.0829 0.4867
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.0997
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.0968 0.1859
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0361 0.274 0.2735
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.1703 0.3278
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0787 0.6108 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0007 0.0029
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.0997
Loa Loa (eye worm) hypothetical protein 0.0119 0.0829 0.4867
Trichomonas vaginalis cyclins, putative 0.0035 0.017 0.7899
Echinococcus multilocularis lamin 0.0026 0.0096 0.0147
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0096 0.0564
Loa Loa (eye worm) hypothetical protein 0.0041 0.0213 0.1252
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0157 0.3877
Giardia lamblia G2/mitotic-specific cyclin B 0.0035 0.017 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.001 0.028
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0395 0.0752
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0395 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.001 0.0007
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0.017 0.0997
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.001 0.0098
Brugia malayi CHE-14 protein 0.0041 0.0213 0.1252
Onchocerca volvulus Huntingtin homolog 0.0119 0.0829 1
Echinococcus multilocularis musashi 0.0026 0.0096 0.0147
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0157 0.0538
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.0157 0.237
Onchocerca volvulus 0.0035 0.017 0.1006
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0395 0.2323
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0083 0.5037
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0644 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0165 0.0307
Schistosoma mansoni hypothetical protein 0.004 0.0202 0.0378
Echinococcus granulosus transcription factor btf3 0.0034 0.0157 0.0292
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0083 0.1953
Echinococcus multilocularis cyclin B 0.0035 0.017 0.0268
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.001 0.0005
Schistosoma mansoni lamin 0.0026 0.0096 0.0174
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0395 1
Entamoeba histolytica cyclin, putative 0.0035 0.017 0.2564
Entamoeba histolytica hypothetical protein 0.0034 0.0157 0.237
Mycobacterium ulcerans epoxide hydrolase EphA 0.0185 0.1352 0.1347
Brugia malayi Amidase family protein 0.0015 0.0007 0.0039
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0395 0.6101
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0157 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.001 0.0252
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0083 0.5051
Echinococcus multilocularis muscleblind protein 0.0145 0.1035 0.1686
Echinococcus multilocularis geminin 0.0164 0.1189 0.1938
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0805 0.4726
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.001 0.0098
Brugia malayi hypothetical protein 0.0024 0.0083 0.0485
Brugia malayi Amidase family protein 0.0015 0.0007 0.0039
Loa Loa (eye worm) hypothetical protein 0.0229 0.1703 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0083 0.5051
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0395 0.2323
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0157 0.3877
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0165 0.0261
Entamoeba histolytica hypothetical protein 0.0035 0.0165 0.2491
Brugia malayi amidase 0.0123 0.0862 0.5064
Trichomonas vaginalis cyclins, putative 0.0035 0.017 0.7899
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.001 0.0007
Echinococcus granulosus expressed conserved protein 0.009 0.0598 0.1145
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.001 0.0098
Schistosoma mansoni microtubule-associated protein tau 0.067 0.5181 1
Echinococcus granulosus geminin 0.0164 0.1189 0.2285
Trichomonas vaginalis cyclin B, putative 0.0035 0.017 0.7899
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0015 0.0007 0.0001
Entamoeba histolytica hypothetical protein 0.0035 0.0165 0.2491
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0035 0.017 0.4195
Brugia malayi Muscleblind-like protein 0.0145 0.1035 0.6077
Loa Loa (eye worm) amidase 0.0015 0.0007 0.0039
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0015 0.0007 0.0001
Brugia malayi hypothetical protein 0.0035 0.0165 0.097
Brugia malayi hypothetical protein 0.0016 0.0014 0.0082
Schistosoma mansoni survival motor neuron protein 0.0047 0.0259 0.0489
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0213 0.1252
Trichomonas vaginalis cyclins, putative 0.0024 0.0081 0.3615
Echinococcus multilocularis lamin dm0 0.0026 0.0096 0.0147
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0096 0.0564
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0862 0.1654
Schistosoma mansoni patched 1 0.0041 0.0213 0.04
Schistosoma mansoni hypothetical protein 0.004 0.0202 0.0378
Echinococcus granulosus lamin dm0 0.0026 0.0096 0.0174
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.001 0.0007
Loa Loa (eye worm) hypothetical protein 0.0119 0.0829 0.4867
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0157 0.7301
Schistosoma mansoni intermediate filament proteins 0.0026 0.0096 0.0174
Trypanosoma cruzi cyclin 6, putative 0.0035 0.017 0.4195
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0157 0.0924
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.001 0.0061
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.1703 0.278
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0656 0.1256
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0919 0.715 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.0259 0.0414
Loa Loa (eye worm) hypothetical protein 0.0026 0.0096 0.0564
Loa Loa (eye worm) hypothetical protein 0.0145 0.1035 0.6077
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0644 0.3784
Echinococcus granulosus fatty acid amide hydrolase 1 0.0015 0.0007 0.0001
Onchocerca volvulus 0.0047 0.0259 0.2226
Brugia malayi beta-NAC-like protein 0.0034 0.0157 0.0924
Loa Loa (eye worm) hypothetical protein 0.0145 0.1035 0.6077
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0157 0.3877
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0862 0.1403
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.0968 0.1577
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0213 0.0339
Schistosoma mansoni fatty-acid amide hydrolase 0.0015 0.0007 0.0001
Echinococcus multilocularis transcription factor btf3 0.0034 0.0157 0.0248
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.001 0.0008
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0361 0.274 0.2735
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.001 0.0008
Schistosoma mansoni hypothetical protein 0.0164 0.1189 0.2285
Echinococcus multilocularis expressed conserved protein 0.009 0.0598 0.0971
Entamoeba histolytica hypothetical protein 0.0035 0.0165 0.2491
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0182 0.0289
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0.017 0.0997
Trypanosoma cruzi CYC2-like cyclin, putative 0.0035 0.017 0.4195
Onchocerca volvulus Huntingtin homolog 0.0119 0.0829 1
Schistosoma mansoni hypothetical protein 0.004 0.0202 0.0378
Schistosoma mansoni transcription factor btf3 0.0034 0.0157 0.0292
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0805 0.4726
Brugia malayi Isocitrate dehydrogenase 0.0015 0.001 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0157 0.7301
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.001 0.0007

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3.2 nM Inhibition of full-length human FAAH expressed in COS-7 cells assessed as [14C]-labeled oleamide to oleic acid conversion ChEMBL. 21428410

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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