Detailed information for compound 274302

Basic information

Technical information
  • TDR Targets ID: 274302
  • Name: N-(1-phenethylpiperidin-4-yl)-N-pyrimidin-2-y lfuran-2-carboxamide
  • MW: 376.452 | Formula: C22H24N4O2
  • H donors: 0 H acceptors: 3 LogP: 3.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(c1ncccn1)C1CCN(CC1)CCc1ccccc1)c1ccco1
  • InChi: 1S/C22H24N4O2/c27-21(20-8-4-17-28-20)26(22-23-12-5-13-24-22)19-10-15-25(16-11-19)14-9-18-6-2-1-3-7-18/h1-8,12-13,17,19H,9-11,14-16H2
  • InChiKey: OBRQIXPWUKGPHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1-phenethyl-4-piperidyl)-N-pyrimidin-2-yl-furan-2-carboxamide
  • N-(1-phenethyl-4-piperidinyl)-N-(2-pyrimidinyl)-2-furancarboxamide
  • N-(1-phenethylpiperidin-4-yl)-N-pyrimidin-2-yl-furan-2-carboxamide
  • N-(1-phenethyl-4-piperidyl)-N-(2-pyrimidyl)-2-furamide
  • N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
  • N-[1-(2-phenylethyl)-4-piperidyl]-N-pyrimidin-2-yl-furan-2-carboxamide
  • N-[1-(2-phenylethyl)-4-piperidinyl]-N-(2-pyrimidinyl)-2-furancarboxamide
  • N-[1-(2-phenylethyl)-4-piperidyl]-N-pyrimidin-2-yl-2-furamide
  • N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-yl-furan-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Mu opioid receptor Starlite/ChEMBL 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
Echinococcus granulosus thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 370 aa 27.3 %
Echinococcus granulosus allatostatin A receptor Mu opioid receptor   398 aa 346 aa 29.5 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   398 aa 334 aa 23.1 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   398 aa 335 aa 20.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   398 aa 397 aa 22.7 %
Onchocerca volvulus Programmed cell death protein 5 homolog Mu opioid receptor   398 aa 323 aa 24.1 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   398 aa 328 aa 23.2 %
Onchocerca volvulus Mu opioid receptor   398 aa 333 aa 26.4 %
Echinococcus multilocularis allatostatin A receptor Mu opioid receptor   398 aa 341 aa 29.3 %
Onchocerca volvulus Mu opioid receptor   398 aa 356 aa 23.9 %
Onchocerca volvulus Mu opioid receptor   398 aa 376 aa 26.3 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Mu opioid receptor   398 aa 334 aa 24.9 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 371 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1449 0.4415 1
Schistosoma mansoni P2X receptor subunit 0.0901 0.2705 0.2705
Echinococcus granulosus carbonic anhydrase 0.1178 0.3569 0.3569
Schistosoma mansoni P2X receptor subunit 0.0901 0.2705 0.2705
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.3239 1 1
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0068 0.0104 0.0211
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0068 0.0104 1
Schistosoma mansoni hypothetical protein 0.1178 0.3569 0.3569
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0000081416 0.0000081416
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1178 0.3569 0.3338
Schistosoma mansoni carbonic anhydrase-related 0.1178 0.3569 0.3569
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1412 0.43 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0573 0.1678 0.3884
Entamoeba histolytica acetyltransferase, putative 0.0068 0.0104 0.0235
Echinococcus multilocularis carbonic anhydrase 0.1178 0.3569 0.3569
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1178 0.3569 0.3569
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3239 1 1
Brugia malayi hypoxia-induced factor 1 0.0146 0.0346 0.0346
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3239 1 1
Plasmodium falciparum carbonic anhydrase 0.1178 0.3569 0.5
Loa Loa (eye worm) hypothetical protein 0.0158 0.0384 0.004
Echinococcus granulosus dynactin 5 p25 0.0068 0.0104 0.0104
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.0142 0.0336 0.0336
Trichomonas vaginalis conserved hypothetical protein 0.1985 0.6087 1
Entamoeba histolytica ankyrin, putative 0.0068 0.0104 0.0235
Loa Loa (eye worm) hypothetical protein 0.1178 0.3569 0.3338
Trichomonas vaginalis conserved hypothetical protein 0.1985 0.6087 1
Echinococcus multilocularis carbonic anhydrase 0.1178 0.3569 0.3569
Mycobacterium ulcerans transferase 0.0065 0.0096 0.0157
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0000081416 0.0000081416
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1178 0.3569 0.3569
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.0142 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.2323 0.7143 0.704
Loa Loa (eye worm) hypothetical protein 0.1178 0.3569 0.3338
Mycobacterium ulcerans hypothetical protein 0.0039 0.0013 0.0022
Brugia malayi hypothetical protein 0.0158 0.0384 0.0384
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0038 0.0038
Echinococcus multilocularis p2X purinoceptor 4 0.0901 0.2705 0.2705
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0068 0.0104 1
Echinococcus multilocularis carbonic anhydrase 0.1178 0.3569 0.3569
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1178 0.3569 0.3569
Loa Loa (eye worm) carbonic anhydrase 3 0.3239 1 1
Echinococcus multilocularis p2X purinoceptor 4 0.0901 0.2705 0.2705
Echinococcus multilocularis p2X purinoceptor 4 0.0901 0.2705 0.2705
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0039 0.0013 0.003
Schistosoma mansoni carbonic anhydrase-related 0.1178 0.3569 0.3569
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1178 0.3569 0.3569
Brugia malayi Putative carbonic anhydrase 5 precursor 0.3239 1 1
Schistosoma mansoni carbonic anhydrase-related 0.1178 0.3569 0.3569
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein 0.0142 0.0336 0.0748
Onchocerca volvulus 0.0065 0.0096 1
Schistosoma mansoni single-minded 0.0047 0.0038 0.0038
Treponema pallidum 5'-nucleotidase (ushA) 0.0142 0.0336 0.5
Echinococcus granulosus carbonic anhydrase II 0.3239 1 1
Echinococcus multilocularis carbonic anhydrase II 0.3239 1 1
Schistosoma mansoni P2X receptor subunit 0.0447 0.1286 0.1286
Leishmania major carbonic anhydrase-like protein 0.3239 1 1
Schistosoma mansoni carbonic anhydrase 0.1178 0.3569 0.3569
Schistosoma mansoni carbonic anhydrase 0.1449 0.4415 0.4415
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3239 1 1
Mycobacterium ulcerans carbonic anhydrase 0.1985 0.6087 1
Echinococcus granulosus p2X purinoceptor 4 0.0901 0.2705 0.2705
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0785 0.2341 0.2341
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3239 1 1
Echinococcus granulosus carbonic anhydrase 0.1178 0.3569 0.3569
Entamoeba histolytica carbonic anhydrase, putative 0.1449 0.4415 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0877 0.2628 0.6099
Echinococcus granulosus p2X purinoceptor 4 0.0901 0.2705 0.2705
Schistosoma mansoni P2X receptor subunit 0.0447 0.1286 0.1286
Giardia lamblia Hypothetical protein 0.0058 0.0073 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1178 0.3569 0.3569
Echinococcus granulosus single minded 2 0.0035 0.0000081416 0.0000081416
Echinococcus granulosus p2X purinoceptor 4 0.0901 0.2705 0.2705
Toxoplasma gondii hypothetical protein 0.1178 0.3569 1
Leishmania major carbonic anhydrase family protein, putative 0.1449 0.4415 0.4407
Brugia malayi PAS domain containing protein 0.0047 0.0038 0.0038
Mycobacterium ulcerans carbonic anhydrase 0.1449 0.4415 0.7253
Trypanosoma brucei carbonic anhydrase-like protein 0.3239 1 1
Echinococcus granulosus carbonic anhydrase 0.1178 0.3569 0.3569

Activities

Activity type Activity value Assay description Source Reference
Analgesia (functional) = 31 % Percentage analgesia determined by mouse hot plate assay (1 mg/kg) ChEMBL. 2563773
Analgesia (functional) = 31 % Percentage analgesia determined by mouse hot plate assay (1 mg/kg) ChEMBL. 2563773
Analgesia (functional) = 39 % Percentage analgesia of determined by mouse hot plate assay (5 mg/kg) ChEMBL. 2563773
Analgesia (functional) = 39 % Percentage analgesia of determined by mouse hot plate assay (5 mg/kg) ChEMBL. 2563773
Ki (binding) = 13.9 nM Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane. ChEMBL. 2563773
Ki (binding) = 13.9 nM Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane. ChEMBL. 2563773
Reversal (functional) = 52 % Tested in rabbit for percentage analgesia after treatment with compound ChEMBL. 2563773
Reversal (functional) = 60 % Percentage of respirations per minute after treatment with morphine when compared to control in rabbit ChEMBL. 2563773
Reversal (functional) = 100 % Percentage of respirations per minute after treatment in rabbit ChEMBL. 2563773
Reversal (functional) = 100 % Tested in rabbit for percentage analgesia after treatment with morphine ChEMBL. 2563773
Reversal type (functional) = 2 Ability of compound for reversal of morphine and analgesia was determined; 2= reversal of both morphine respiratory depression and analgesia ChEMBL. 2563773

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.