Detailed information for compound 1512728

Basic information

Technical information
  • TDR Targets ID: 1512728
  • Name: N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluoro phenyl)methyl]-6-oxopiperidine-3-carboxamide
  • MW: 358.41 | Formula: C19H23FN4O2
  • H donors: 1 H acceptors: 3 LogP: 0.59 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1ccnc1CNC(=O)C1CCC(=O)N(C1)Cc1ccccc1F
  • InChi: 1S/C19H23FN4O2/c1-2-23-10-9-21-17(23)11-22-19(26)15-7-8-18(25)24(13-15)12-14-5-3-4-6-16(14)20/h3-6,9-10,15H,2,7-8,11-13H2,1H3,(H,22,26)
  • InChiKey: GTZCVECLIYFVBW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxo-piperidine-3-carboxamide
  • N-[(1-ethyl-2-imidazolyl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxo-3-piperidinecarboxamide
  • N-[(1-ethylimidazol-2-yl)methyl]-1-(2-fluorobenzyl)-6-keto-nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Niemann Pick C1 protein 0.0147 0.0744 0.072
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0145 0.012
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.0887 0.0864
Echinococcus granulosus lysosomal alpha glucosidase 0.0171 0.0887 0.1018
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0071 0.2683
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0071 0.047
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.006 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0208 0.1383
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0929 0.6002
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.0263 0.0238
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.0472 0.3143
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.1501 1
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.0988 0.6412
Echinococcus multilocularis protein patched 0.0044 0.011 0.0085
Mycobacterium ulcerans thymidine phosphorylase 0.0726 0.4299 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0065 0.004
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0929 0.6002
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0099 0.0087
Trypanosoma brucei glucosidase, putative 0.0038 0.0071 0.2683
Schistosoma mansoni hypothetical protein 0.0043 0.01 0.0088
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0145 0.0141
Loa Loa (eye worm) hypothetical protein 0.0036 0.006 0.0397
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0145 0.0965
Brugia malayi jmjC domain containing protein 0.0037 0.0065 0.0433
Schistosoma mansoni hypothetical protein 0.0043 0.01 0.0088
Echinococcus multilocularis microtubule associated protein 2 0.1407 0.8486 0.8482
Schistosoma mansoni metabotropic glutamate receptor 0.0085 0.036 0.0396
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0208 0.1383
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0187 0.0191
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0263 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.0263 0.1751
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0135 0.0898
Loa Loa (eye worm) hypothetical protein 0.0036 0.006 0.0397
Schistosoma mansoni alpha-glucosidase 0.0147 0.0741 0.0846
Brugia malayi Glycosyl hydrolases family 31 protein 0.0171 0.0887 0.5909
Schistosoma mansoni hypothetical protein 0.0304 0.1705 0.1986
Onchocerca volvulus 0.0099 0.0445 0.4639
Echinococcus multilocularis thymidine phosphorylase 0.0726 0.4299 0.4285
Echinococcus granulosus microtubule associated protein 2 0.1407 0.8486 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0071 0.047
Echinococcus granulosus Protein patched homolog 1 0.0044 0.011 0.01
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0115 0.0547 0.0616
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0145 0.012
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0099 0.0074
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0092 0.0403 0.2683
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0187 0.1248
Brugia malayi metabotropic glutamate receptor type 2 0.0049 0.0142 0.0944
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0135 0.5127
Giardia lamblia PHD finger protein 15 0.0031 0.0025 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.1501 1
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0145 0.0141
Schistosoma mansoni alpha glucosidase 0.0038 0.0071 0.0053
Onchocerca volvulus Huntingtin homolog 0.0128 0.0627 0.6654
Echinococcus granulosus thymidine phosphorylase 0.0726 0.4299 0.5052
Schistosoma mansoni hypothetical protein 0.0041 0.0091 0.0077
Loa Loa (eye worm) hypothetical protein 0.005 0.0145 0.0965
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0135 0.1601
Mycobacterium ulcerans hypothetical protein 0.0048 0.0135 0.0177
Loa Loa (eye worm) hypothetical protein 0.0125 0.0605 0.4033
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.0263 0.1751
Schistosoma mansoni microtubule-associated protein tau 0.1407 0.8486 1
Schistosoma mansoni jumonji domain containing protein 0.008 0.0326 0.0356
Echinococcus granulosus metabotropic glutamate receptor 2 0.0085 0.036 0.0396
Onchocerca volvulus Glucosylceramidase homolog 0.0178 0.0929 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.006 0.0397
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.0453 0.0505
Brugia malayi hypothetical protein 0.0128 0.0627 0.4175
Loa Loa (eye worm) glutamate receptor 0.004 0.0083 0.0553
Schistosoma mansoni hypothetical protein 0.0178 0.0929 0.1068
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0135 0.0177
Loa Loa (eye worm) hypothetical protein 0.0128 0.0627 0.4175
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0929 0.6002
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.0263 0.4793
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0208 0.1383
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0084 0.0058
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.006 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.0263 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0071 0.0045
Loa Loa (eye worm) hypothetical protein 0.0048 0.0135 0.0898
Loa Loa (eye worm) hypothetical protein 0.0052 0.016 0.1063
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0929 0.6002
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0135 0.0898
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0135 0.0205
Schistosoma mansoni hypothetical protein 0.0043 0.01 0.0088
Loa Loa (eye worm) glutamate receptor 0.0101 0.0461 0.3073
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0025 0.3606
Echinococcus granulosus metabotropic glutamate receptor 5 0.0125 0.0605 0.0686
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0271 0.1501 1
Schistosoma mansoni metabotropic glutamate receptor 0.0049 0.0142 0.0137
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0197 0.1048 0.1026
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0145 0.0141
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0065 0.0047
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0071 0.2683
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.1501 1
Echinococcus granulosus geminin 0.0178 0.0929 0.1068
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0135 0.5127
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0091 0.0603
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.006 0.0029
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0135 0.0177
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0135 0.0177
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.006 1
Schistosoma mansoni alpha-glucosidase 0.0147 0.0741 0.0846
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0025 0.3606
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0197 0.1048 0.1209
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0171 0.0887 0.5909
Echinococcus granulosus expressed conserved protein 0.0097 0.0433 0.0482
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.0263 0.0281
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0271 0.1501 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0263 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0025 0.0169
Loa Loa (eye worm) hypothetical protein 0.0057 0.0187 0.1248
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.011 0.0731
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0145 0.0141
Brugia malayi Bromodomain containing protein 0.0031 0.0025 0.0169
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0726 0.4299 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0135 0.1601
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.1501 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.0472 0.0447
Schistosoma mansoni hypothetical protein 0.0043 0.01 0.0088
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0929 0.6002
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0071 0.2683
Loa Loa (eye worm) hypothetical protein 0.0036 0.006 0.0397
Plasmodium falciparum phd finger protein, putative 0.0031 0.0025 0.4263
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.0472 0.0528
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.0887 0.0864
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0135 0.5127
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.0453 0.0428
Loa Loa (eye worm) hypothetical protein 0.0048 0.0135 0.0898
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0205 0.1097 0.2447
Echinococcus multilocularis expressed conserved protein 0.0097 0.0433 0.0409
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0135 0.0177
Loa Loa (eye worm) hypothetical protein 0.0103 0.0472 0.3143
Loa Loa (eye worm) hypothetical protein 0.0036 0.006 0.0397
Loa Loa (eye worm) hypothetical protein 0.0041 0.0091 0.0603
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0071 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0101 0.0461 0.3073
Echinococcus multilocularis geminin 0.0178 0.0929 0.0906
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.0263 0.0281
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0135 0.0205
Onchocerca volvulus Huntingtin homolog 0.0128 0.0627 0.6654
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0071 0.0053
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0065 0.0433
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0135 0.0898
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0263 1
Echinococcus granulosus Niemann Pick C1 protein 0.0147 0.0744 0.0849
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.1501 1
Schistosoma mansoni hypothetical protein 0.0178 0.0929 0.1068
Brugia malayi jmjC domain containing protein 0.01 0.0453 0.3016
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0135 0.0177
Brugia malayi CHE-14 protein 0.0044 0.011 0.0731
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0205 0.1097 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0105 0.0482 0.0539
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0135 0.1601
Loa Loa (eye worm) hypothetical protein 0.0128 0.0627 0.4175
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.011 0.01
Echinococcus multilocularis protein dispatched 1 0.0051 0.0148 0.0123
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0929 0.6002
Loa Loa (eye worm) MBCTL1 0.0057 0.0187 0.1248
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0135 0.0177
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.0988 0.6412
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0187 0.0191
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0187 0.0191
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0085 0.036 0.0336
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0145 0.1322
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0225 0.1501
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0065 0.0047
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0205 0.1097 0.2468
Onchocerca volvulus 0.005 0.0145 0.1322
Loa Loa (eye worm) hypothetical protein 0.0044 0.011 0.0731
Brugia malayi mbt repeat family protein 0.005 0.0145 0.0965
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0187 0.0162
Onchocerca volvulus 0.0048 0.0135 0.121
Loa Loa (eye worm) hypothetical protein 0.0054 0.0171 0.1139
Loa Loa (eye worm) hypothetical protein 0.0048 0.0135 0.0898
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.1501 1
Schistosoma mansoni patched 1 0.0044 0.011 0.01
Brugia malayi PHD-finger family protein 0.0031 0.0025 0.0169
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0065 0.0047
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.011 0.0085
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0929 0.6002
Echinococcus granulosus transcription factor Dp 1 0.004 0.0084 0.0069
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0208 0.1383
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0025 0.0169
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.0472 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0187 0.0162
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.011 0.0275
Brugia malayi mbt repeat family protein 0.005 0.0145 0.0965
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0025 0.4263
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0125 0.0605 0.0582
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0135 0.0177
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0145 0.0141

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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