Detailed information for compound 1384400

Basic information

Technical information
  • TDR Targets ID: 1384400
  • Name: N-(2-phenylphenyl)-2-piperidin-1-ylpropanamid e
  • MW: 308.417 | Formula: C20H24N2O
  • H donors: 1 H acceptors: 1 LogP: 4.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(N1CCCCC1)C)Nc1ccccc1c1ccccc1
  • InChi: 1S/C20H24N2O/c1-16(22-14-8-3-9-15-22)20(23)21-19-13-7-6-12-18(19)17-10-4-2-5-11-17/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3,(H,21,23)
  • InChiKey: RBVGHRGLDHWTNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-phenylphenyl)-2-(1-piperidyl)propanamide
  • N-(2-phenylphenyl)-2-piperidino-propionamide
  • N-(2-phenylphenyl)-2-piperidin-1-yl-propanamide
  • SMR000154794
  • T5584383
  • MLS000568908

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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 geranylgeranyl pyrophosphate synthase 0.0142 0.2097 0.1406
Loa Loa (eye worm) hypothetical protein 0.0286 0.4783 0.4783
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0142 0.2097 0.1406
Schistosoma mansoni glutathione synthetase 0.0142 0.2097 0.1935
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0142 0.2097 0.2097
Giardia lamblia Farnesyl diphosphate synthase 0.0564 1 0.5
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0564 1 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0521 0.0327
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0558 0.0558
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0142 0.2097 0.5
Leishmania major polyprenyl synthase, putative 0.0142 0.2097 0.2097
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0142 0.2097 0.1406
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0142 0.2097 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0564 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0201 0.0201
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0142 0.2097 0.1406
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0142 0.2097 0.5
Trypanosoma cruzi polyprenyl synthase, putative 0.0142 0.2097 0.2097
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0142 0.2097 0.1406
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0142 0.2097 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0564 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0564 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0142 0.2097 0.2097
Treponema pallidum octaprenyl-diphosphate synthase 0.0142 0.2097 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0558 0.0558
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0142 0.2097 0.2097
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0142 0.2097 0.5
Brugia malayi Polyprenyl synthetase family protein 0.0142 0.2097 0.2097
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0142 0.2097 0.2097
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0142 0.2097 0.2097
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0142 0.2097 0.1935
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0804 0.0804
Brugia malayi hypothetical protein 0.0286 0.4783 0.4783
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0564 1 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0142 0.2097 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0804 0.0616
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0564 1 1
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0142 0.2097 0.1406
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0564 1 1
Leishmania major solanesyl-diphosphate synthase, putative 0.0142 0.2097 0.2097
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0142 0.2097 0.2097
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0142 0.2097 0.1406
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0564 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0142 0.2097 0.1406
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0564 1 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0804 0.0804
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0558 0.0558
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0142 0.2097 0.1406
Onchocerca volvulus 0.0058 0.0521 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0201 0.0201
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0142 0.2097 0.1406
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0564 1 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0142 0.2097 0.2097
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0142 0.2097 0.2097
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.4783 0.4327
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0564 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0521 0.0521
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0142 0.2097 0.1406
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0558 0.0558
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.4783 0.4327
Trypanosoma cruzi polyprenyl synthase, putative 0.0142 0.2097 0.2097
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0142 0.2097 0.2097
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0142 0.2097 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0564 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0804 0.0616
Schistosoma mansoni trans-prenyltransferase 0.0142 0.2097 0.1935
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0142 0.2097 0.2097
Leishmania major farnesyl pyrophosphate synthase 0.0564 1 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0564 1 1
Schistosoma mansoni hypothetical protein 0.0058 0.0521 0.0327
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0564 1 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0564 1 0.5
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0564 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0355 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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