Detailed information for compound 755155

Basic information

Technical information
  • TDR Targets ID: 755155
  • Name: N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4- yl]pyrazol-3-yl]-4-phenylbutanamide
  • MW: 432.558 | Formula: C26H32N4O2
  • H donors: 1 H acceptors: 2 LogP: 3.95 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
  • InChi: 1S/C26H32N4O2/c1-32-24-12-6-5-11-22(24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)13-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,14,17,23H,7,10,13,15-16,18-20H2,1H3,(H,28,31)
  • InChiKey: VRNITISCWSZZDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[1-[(2-methoxyphenyl)methyl]-4-piperidyl]pyrazol-3-yl]-4-phenyl-butanamide
  • N-[2-[1-[(2-methoxyphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide
  • N-[2-[1-(2-methoxybenzyl)-4-piperidyl]pyrazol-3-yl]-4-phenyl-butyramide
  • N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

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
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0873 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0873 1
Schistosoma mansoni ap endonuclease 0.0018 0.0078 0.0291
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0158 0.1003
Echinococcus multilocularis pyruvate kinase 0.0032 0.0723 0.283
Trypanosoma brucei pyruvate kinase 1, putative 0.0032 0.0723 0.812
Plasmodium falciparum pyruvate kinase 0.0032 0.0723 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0873 0.3269
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0274 0.079
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0158 0.1003
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0873 0.0801
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0826 0.3232
Brugia malayi beta-lactamase family protein 0.0036 0.0873 0.0923
Chlamydia trachomatis pyruvate kinase 0.0032 0.0723 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0158 0.059
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0158 0.008
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0593 0.6798
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0158 0.1003
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0158 0.1003
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0826 0.3232
Mycobacterium ulcerans pyruvate kinase 0.0032 0.0723 0.812
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0078 0.0892
Loa Loa (eye worm) hypothetical protein 0.003 0.0593 0.0598
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0723 0.812
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0158 0.1003
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0078 0.1076
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0873 0.0827
Loa Loa (eye worm) hypothetical protein 0.0032 0.0723 0.0749
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.426 0.4854
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0544 0.2126
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Brugia malayi beta-lactamase family protein 0.0036 0.0873 0.0923
Schistosoma mansoni hypothetical protein 0.0075 0.267 1
Brugia malayi Pre-SET motif family protein 0.0206 0.8694 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0873 1
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0723 0.0749
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0723 0.0651
Mycobacterium ulcerans lipase LipD 0.0036 0.0873 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0873 0.0827
Schistosoma mansoni pyruvate kinase 0.0032 0.0723 0.2709
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0723 0.0651
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0826 0.3232
Leishmania major hypothetical protein, conserved 0.0036 0.0873 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0873 0.0923
Loa Loa (eye worm) hypothetical protein 0.0035 0.0826 0.0869
Loa Loa (eye worm) hypothetical protein 0.0075 0.267 0.3009
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0873 0.0801
Mycobacterium tuberculosis Conserved protein 0.0036 0.0873 0.0827
Echinococcus multilocularis GPCR, family 2 0.0035 0.0826 0.3232
Entamoeba histolytica hypothetical protein 0.0072 0.2556 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0158 0.1003
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0158 0.1003
Loa Loa (eye worm) hypothetical protein 0.0036 0.0873 0.0923
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0593 0.2321
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0032 0.0723 0.0672
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0723 0.812
Brugia malayi Pre-SET motif family protein 0.003 0.0593 0.0598
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0873 0.0923
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Mycobacterium tuberculosis Conserved protein 0.0036 0.0873 0.0827
Toxoplasma gondii ABC1 family protein 0.0036 0.0873 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0873 0.0923
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0723 0.0138
Schistosoma mansoni hypothetical protein 0.0035 0.0826 0.3094
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0158 0.1003
Entamoeba histolytica hypothetical protein 0.0072 0.2556 1
Brugia malayi hypothetical protein 0.0072 0.2556 0.2877
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0078 0.1076
Echinococcus multilocularis pyruvate kinase 0.0032 0.0723 0.283
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0158 0.0083
Onchocerca volvulus 0.0036 0.0873 0.0297
Mycobacterium tuberculosis Conserved protein 0.0036 0.0873 0.0827
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0158 0.1003
Mycobacterium ulcerans hypothetical protein 0.0036 0.0873 1
Giardia lamblia Pyruvate kinase 0.0032 0.0723 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Giardia lamblia DINP protein human, muc B family 0.002 0.0158 0.2178
Onchocerca volvulus 0.0036 0.0873 0.0297
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.9689 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0873 0.0801
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.426 0.4854
Onchocerca volvulus 0.0036 0.0873 0.0297
Schistosoma mansoni hypothetical protein 0.0072 0.2556 0.9572
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0873 0.0801
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0593 0.2222
Trichomonas vaginalis set domain proteins, putative 0.0235 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0593 0.2222
Leishmania major DNA polymerase eta, putative 0.002 0.0158 0.1003
Leishmania major pyruvate kinase 0.0032 0.0723 0.812
Echinococcus granulosus pyruvate kinase 0.0032 0.0723 0.283
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0873 0.3269
Plasmodium vivax SET domain protein, putative 0.003 0.0593 0.6798
Echinococcus multilocularis dna polymerase eta 0.002 0.0158 0.0616
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.2556 0.9572
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0593 0.2222
Leishmania major pyruvate kinase 0.0032 0.0723 0.812
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0158 0.0616
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0873 0.0923
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0873 0.0801
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0078 0.0305
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0873 0.0827
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0873 0.0827
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0826 0.3232
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0158 0.1003
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0158 0.0093
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0158 0.0083
Echinococcus granulosus dna polymerase kappa 0.002 0.0158 0.0616
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0593 0.2321
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Echinococcus granulosus pyruvate kinase 0.0032 0.0723 0.283
Trichomonas vaginalis esterase, putative 0.0036 0.0873 0.0801
Toxoplasma gondii exonuclease III APE 0.0018 0.0078 0.0892
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0593 0.2222
Schistosoma mansoni pyruvate kinase 0.0032 0.0723 0.2709
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0078 0.5
Mycobacterium leprae Probable lipase LipE 0.0036 0.0873 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0826 0.0869
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0723 0.0749
Schistosoma mansoni ap endonuclease 0.0018 0.0078 0.0291
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Brugia malayi beta-lactamase 0.0036 0.0873 0.0923
Schistosoma mansoni DNA polymerase eta 0.002 0.0158 0.059
Schistosoma mansoni hypothetical protein 0.0035 0.0826 0.3094
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0158 0.059
Echinococcus multilocularis dna polymerase kappa 0.002 0.0158 0.0616
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.8694 1
Trypanosoma brucei pyruvate kinase 1 0.0032 0.0723 0.812
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0723 0.0138
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0873 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0158 0.008
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0078 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.2556 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0078 0.0305
Echinococcus granulosus dna polymerase eta 0.002 0.0158 0.0616
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0873 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0873 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0093
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0158 0.1003
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0593 0.2321
Loa Loa (eye worm) hypothetical protein 0.0023 0.0274 0.0227
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0274 0.0227
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0873 0.0827
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0826 0.0869
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0873 0.0827
Schistosoma mansoni hypothetical protein 0.0035 0.0826 0.3094
Schistosoma mansoni hypothetical protein 0.0035 0.0826 0.3094
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.2556 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0873 0.0923
Loa Loa (eye worm) hypothetical protein 0.011 0.426 0.4854
Entamoeba histolytica hypothetical protein 0.0072 0.2556 1
Echinococcus multilocularis pyruvate kinase 0.0026 0.041 0.1605
Loa Loa (eye worm) hypothetical protein 0.0036 0.0873 0.0923
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0158 0.0093
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0873 0.3415
Toxoplasma gondii pyruvate kinase PyK1 0.0032 0.0723 0.8287
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0873 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1003
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0158 0.0322
Trypanosoma brucei unspecified product 0.002 0.0158 0.1003
Brugia malayi Pyruvate kinase, muscle isozyme 0.0032 0.0723 0.0749
Plasmodium vivax pyruvate kinase, putative 0.0032 0.0723 0.8287
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0723 0.0138
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0826 0.0869
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.426 0.4854
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0723 0.0749
Leishmania major DNA polymerase kappa, putative 0.002 0.0158 0.1003
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0873 0.0827
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0873 0.3415
Entamoeba histolytica hypothetical protein 0.0072 0.2556 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0158 0.1003
Brugia malayi Pyruvate kinase, M2 isozyme 0.0032 0.0723 0.0749
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0158 0.0616
Echinococcus granulosus GPCR family 2 0.0035 0.0826 0.3232
Loa Loa (eye worm) hypothetical protein 0.0036 0.0873 0.0923
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.267 0.3009
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0158 0.0093
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0873 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0873 0.0923

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 51.3 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intestinal Alkaline Phosphatase using Mouse Intestinal Alkaline Phosphatase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2524, AID2571] ChEMBL. No reference
EC50 (functional) 60.4 uM PUBCHEM_BIOASSAY: Dose Response concentration confirmation of uHTS hits from a small molecule activators of human intestinal alkaline phosphatase via a luminescent assay - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2524, AID2571] ChEMBL. No reference
EC50 (functional) = 69 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intestinal Alkaline Phosphatase using Placental Alkaline Phosphatase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2524, AID2571] ChEMBL. No reference
EC50 (functional) = 74 uM PUBCHEM_BIOASSAY: Dose Response concentration confirmation of uHTS hits from a small molecule activators of human intestinal alkaline phosphatase via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2524, AID2571] ChEMBL. No reference
EC50 (functional) = 75.8 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intestinal Alkaline Phosphatase using Tissue Nonspecific Alkaline Phosphatase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2524, AID2571] ChEMBL. No reference
Potency (functional) 11.2202 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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6294 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 141.2538 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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