Detailed information for compound 1093957

Basic information

Technical information
  • TDR Targets ID: 1093957
  • Name: (pyridin-3-ylmethylideneamino) N-(4-butoxyphe nyl)carbamate
  • MW: 313.351 | Formula: C17H19N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.29 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)NC(=O)O/N=C/c1cccnc1
  • InChi: 1S/C17H19N3O3/c1-2-3-11-22-16-8-6-15(7-9-16)20-17(21)23-19-13-14-5-4-10-18-12-14/h4-10,12-13H,2-3,11H2,1H3,(H,20,21)/b19-13+
  • InChiKey: GPBQAYXYNOXDEZ-CPNJWEJPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3-pyridylmethyleneamino) N-(4-butoxyphenyl)carbamate
  • N-(4-butoxyphenyl)carbamic acid (3-pyridylmethyleneamino) ester

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 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
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
Echinococcus multilocularis fatty acid amide hydrolase 1 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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative 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
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
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
Schistosoma mansoni fatty-acid amide hydrolase 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
Loa Loa (eye worm) hypothetical protein 0.0073 0.0456 0.054
Loa Loa (eye worm) hypothetical protein 0.0071 0.0424 0.0502
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0058 0.0228 1
Mycobacterium tuberculosis Conserved protein 0.0073 0.0456 0.0377
Mycobacterium leprae Probable lipase LipE 0.0073 0.0456 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0058 0.0228 0.0228
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0058 0.0228 0.027
Echinococcus granulosus excitatory amino acid transporter 3 0.038 0.4992 0.4992
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0456 0.0377
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0456 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.1472 0.1472
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0456 0.0456
Echinococcus multilocularis neutral amino acid transporter A 0.038 0.4992 0.4992
Loa Loa (eye worm) hypothetical protein 0.0073 0.0456 0.054
Brugia malayi Importin beta-1 subunit 0.0057 0.0224 0.0449
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.031 0.3591
Mycobacterium tuberculosis Conserved protein 0.0073 0.0456 0.0377
Brugia malayi beta-lactamase family protein 0.0073 0.0456 0.0914
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0058 0.0228 0.4989
Loa Loa (eye worm) hypothetical protein 0.0149 0.1579 0.187
Echinococcus granulosus geminin 0.0176 0.1984 0.1984
Echinococcus granulosus neutral amino acid transporter A 0.038 0.4992 0.4992
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.1196 0.1196
Mycobacterium tuberculosis Conserved protein 0.0073 0.0456 0.0377
Treponema pallidum glutamate transporter 0.0168 0.1865 1
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.038 0.4992 1
Echinococcus multilocularis muscleblind protein 1 0.0149 0.1579 0.1579
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.1472 0.1472
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0058 0.0228 0.0228
Toxoplasma gondii exonuclease III APE 0.0058 0.0228 0.4989
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0058 0.0228 0.4989
Chlamydia trachomatis glutamate symporter 0.038 0.4992 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.091 0.1078
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0456 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0456 0.054
Echinococcus granulosus Excitatory amino acid transporter 0.038 0.4992 0.4992
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0456 0.0456
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0228 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0073 0.0456 0.054
Brugia malayi Excitatory amino acid transporter 0.038 0.4992 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0456 0.0377
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0456 1
Echinococcus multilocularis geminin 0.0176 0.1984 0.1984
Echinococcus granulosus excitatory amino acid transporter 2 0.038 0.4992 0.4992
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.1196 0.1196
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.031 0.031
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.031 0.0136
Echinococcus multilocularis sodium:dicarboxylate symporter 0.038 0.4992 0.4992
Leishmania major importin beta-1 subunit, putative 0.0047 0.0064 0.1394
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0142 0.1472 0.1743
Loa Loa (eye worm) hypothetical protein 0.0057 0.0224 0.0266
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.1196 0.1196
Loa Loa (eye worm) hypothetical protein 0.0123 0.1196 0.1416
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.1472 0.1472
Trichomonas vaginalis esterase, putative 0.0073 0.0456 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0456 0.054
Echinococcus granulosus excitatory amino acid transporter 2 0.038 0.4992 0.4992
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0058 0.0228 0.4989
Echinococcus granulosus muscleblind protein 0.0149 0.1579 0.1579
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0064 0.1394
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.031 0.3591
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.031 0.3591
Echinococcus granulosus importin subunit beta 1 0.0057 0.0224 0.0224
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0424 0.085
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0168 0.1865 0.1865
Schistosoma mansoni amidase 0.0123 0.1196 0.1196
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0456 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0168 0.1865 0.1865
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.031 0.6788
Echinococcus multilocularis excitatory amino acid transporter 2 0.038 0.4992 0.4992
Brugia malayi beta-lactamase family protein 0.0073 0.0456 0.0914
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.038 0.4992 0.4992
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0228 0.4989
Mycobacterium ulcerans beta-lactamase 0.0073 0.0456 1
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0456 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0142 0.1472 0.2949
Echinococcus multilocularis excitatory amino acid transporter 2 0.038 0.4992 0.4992
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0058 0.0228 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0613 0.8443 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0228 0.4989
Echinococcus multilocularis Excitatory amino acid transporter 0.038 0.4992 0.4992
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0456 0.054
Plasmodium vivax importin-beta 2, putative 0.0057 0.0224 0.4916
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.031 0.031
Schistosoma mansoni ap endonuclease 0.0058 0.0228 0.0228
Trichomonas vaginalis importin beta-1, putative 0.0047 0.0064 0.1394
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.031 0.6788
Entamoeba histolytica hypothetical protein 0.0047 0.0064 0.2795
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0456 0.0456
Loa Loa (eye worm) excitatory amino acid transporter 0.038 0.4992 0.5913
Leishmania major hypothetical protein, conserved 0.0073 0.0456 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.1196 0.1196
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.1472 0.1472
Toxoplasma gondii ABC1 family protein 0.0073 0.0456 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.038 0.4992 0.4992
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0064 0.1394
Onchocerca volvulus Excitatory amino acid transporter homolog 0.038 0.4992 1
Echinococcus multilocularis excitatory amino acid transporter 3 0.038 0.4992 0.4992
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0058 0.0228 0.4989
Toxoplasma gondii HEAT repeat-containing protein 0.0057 0.0224 0.4916
Brugia malayi beta-lactamase 0.0073 0.0456 0.0914
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0467 0.6284 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.1579 0.187
Schistosoma mansoni hypothetical protein 0.0176 0.1984 0.1984
Schistosoma mansoni importin beta-1 0.0057 0.0224 0.0224
Brugia malayi Muscleblind-like protein 0.0149 0.1579 0.3162
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.1196 0.1196
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0456 0.0377
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.1472 0.1472
Schistosoma mansoni hypothetical protein 0.0071 0.0424 0.0424
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.091 0.1823
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0456 1
Echinococcus multilocularis microtubule associated protein 2 0.0718 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0456 0.0377
Echinococcus multilocularis Excitatory amino acid transporter 0.038 0.4992 0.4992
Loa Loa (eye worm) hypothetical protein 0.0073 0.0456 0.054
Echinococcus multilocularis muscleblind protein 0.0149 0.1579 0.1579
Echinococcus granulosus Excitatory amino acid transporter 0.038 0.4992 0.4992
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0456 0.0377
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0456 0.0377
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0456 1
Echinococcus multilocularis importin subunit beta 1 0.0057 0.0224 0.0224
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0224 0.4916
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0456 1
Treponema pallidum glutamate/aspartate transporter 0.0168 0.1865 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0168 0.1865 0.1865
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0456 1
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0228 0.4989
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.091 0.1823
Schistosoma mansoni microtubule-associated protein tau 0.0718 1 1
Loa Loa (eye worm) beta-lactamase 0.0073 0.0456 0.054
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0456 1
Echinococcus multilocularis snurportin 1 0.0613 0.8443 0.8443
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0456 0.0456
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.1472 0.1472
Brugia malayi exodeoxyribonuclease III family protein 0.0058 0.0228 0.0456
Echinococcus multilocularis neutral amino acid transporter A 0.038 0.4992 0.4992
Echinococcus granulosus snurportin 1 0.0613 0.8443 0.8443
Brugia malayi amidase 0.0123 0.1196 0.2395
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0456 0.5
Mycobacterium ulcerans hypothetical protein 0.0073 0.0456 1
Plasmodium falciparum importin beta, putative 0.0057 0.0224 0.9852
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.091 0.1078
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.031 0.031
Echinococcus granulosus neutral amino acid transporter A 0.038 0.4992 0.4992
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0456 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0168 0.1865 0.1865
Schistosoma mansoni hypothetical protein 0.0176 0.1984 0.1984
Brugia malayi RNA, U transporter 1 0.0163 0.179 0.3586
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0456 0.0914
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.038 0.4992 0.7867
Echinococcus multilocularis neutral amino acid transporter A 0.038 0.4992 0.4992
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0456 0.0377
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.1472 0.1472
Echinococcus granulosus neutral amino acid transporter 0.038 0.4992 0.4992
Trypanosoma cruzi importin beta-1 subunit, putative 0.0047 0.0064 0.1394
Mycobacterium ulcerans lipase LipD 0.0073 0.0456 1
Schistosoma mansoni ap endonuclease 0.0058 0.0228 0.0228
Schistosoma mansoni hypothetical protein 0.0613 0.8443 0.8443
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0224 0.4916
Echinococcus granulosus sodium:dicarboxylate symporter 0.038 0.4992 0.4992

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 14 nM Inhibition of human FAAH expressed in human H4 cells ChEMBL. 20036536

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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