Detailed information for compound 1125279

Basic information

Technical information
  • TDR Targets ID: 1125279
  • Name: (4-pyridin-4-ylpiperidin-1-yl)-(3,4,5-trimeth oxyphenyl)methanone
  • MW: 356.416 | Formula: C20H24N2O4
  • H donors: 0 H acceptors: 2 LogP: 2.46 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(=O)N1CCC(CC1)c1ccncc1
  • InChi: 1S/C20H24N2O4/c1-24-17-12-16(13-18(25-2)19(17)26-3)20(23)22-10-6-15(7-11-22)14-4-8-21-9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3
  • InChiKey: HVBAEEKPBVDETH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(4-pyridyl)-1-piperidyl]-(3,4,5-trimethoxyphenyl)methanone
  • [4-(4-pyridyl)-1-piperidinyl]-(3,4,5-trimethoxyphenyl)methanone
  • G886-0033
  • NCGC00137554-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis glucosylceramidase, putative 0.0599 0.6113 0.7455
Echinococcus multilocularis snurportin 1 0.0656 0.6705 0.6633
Leishmania major importin beta-1 subunit, putative 0.005 0.0371 0.1983
Echinococcus granulosus histone lysine methyltransferase setb 0.0099 0.0888 0.1038
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.0292 0.0412
Trypanosoma cruzi importin beta-1 subunit, putative 0.005 0.0371 0.1983
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0193 0.187 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0599 0.6113 0.8622
Brugia malayi RNA, U transporter 1 0.0175 0.1676 0.2364
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0183 0.098
Trichomonas vaginalis glucosylceramidase, putative 0.0393 0.3959 0.4682
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0693 0.709 1
Plasmodium vivax SET domain protein, putative 0.0099 0.0888 0.2778
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.0319 0.3589
Brugia malayi jmjC domain containing protein 0.0042 0.0292 0.0412
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Schistosoma mansoni terminal deoxycytidyl transferase 0.0046 0.0333 0.0497
Entamoeba histolytica hypothetical protein 0.005 0.0371 0.1392
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0099 0.0888 0.1325
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0292 0.0118
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0333 0.047
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0128 0.0181
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0046 0.0333 0.0497
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0045 0.0323 0.1009
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0215 0.0672
Trichomonas vaginalis set domain proteins, putative 0.0788 0.809 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.032 0.3199 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0128 0.0181
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Trichomonas vaginalis glucosylceramidase, putative 0.0599 0.6113 0.7455
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0183 0.098
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.0604 0.0851
Trypanosoma brucei unspecified product 0.0046 0.0333 0.1782
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0193 0.187 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0193 0.187 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0046 0.0333 0.0014
Trichomonas vaginalis glucosylceramidase, putative 0.0414 0.4181 0.4967
Trichomonas vaginalis glucosylceramidase, putative 0.0414 0.4181 0.4967
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0492 0.2632
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0656 0.6705 0.9457
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0323 0.1726
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0128 0.0259
Echinococcus multilocularis dna polymerase eta 0.0077 0.0652 0.0447
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0128 0.0401
Loa Loa (eye worm) hypothetical protein 0.0099 0.0888 0.1253
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0046 0.0333 0.0121
Loa Loa (eye worm) hypothetical protein 0.0027 0.0128 0.0181
Onchocerca volvulus 0.0099 0.0888 0.0955
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0046 0.0333 0.0909
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0099 0.0888 0.1325
Echinococcus granulosus importin subunit beta 1 0.0061 0.0492 0.0427
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0387 0.0265
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0358 0.022
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0045 0.0323 0.1726
Trichomonas vaginalis glucosylceramidase, putative 0.0599 0.6113 0.7455
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0045 0.0323 0.011
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.0652 0.3487
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0215 0.0321
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0128 0.0401
Echinococcus multilocularis lysine specific demethylase 5A 0.0042 0.0292 0.0078
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0333 0.1782
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0387 0.0546
Loa Loa (eye worm) hypothetical protein 0.0061 0.0492 0.0694
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0099 0.0888 0.1325
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0045 0.0323 0.0455
Plasmodium falciparum phd finger protein, putative 0.0035 0.0215 0.0672
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0128 0.0181
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0099 0.0888 0.1325
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0319 0.1705
Echinococcus granulosus snurportin 1 0.0656 0.6705 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0193 0.187 0.255
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0128 0.0686
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0292 0.0435
Loa Loa (eye worm) hypothetical protein 0.002 0.0058 0.0082
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0058 0.0181
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0128 0.0181
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0387 0.0265
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0128 0.0401
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0128 0.0401
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0193 0.187 1
Brugia malayi PHD-finger family protein 0.0035 0.0215 0.0303
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0058 0.0036
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0128 0.0401
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0128 0.0259
Entamoeba histolytica DNA repair and recombination protein, putative 0.0193 0.187 1
Schistosoma mansoni jumonji domain containing protein 0.0091 0.08 0.1193
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0215 0.0303
Trypanosoma brucei unspecified product 0.0032 0.0183 0.098
Schistosoma mansoni DNA polymerase eta 0.0077 0.0652 0.0972
Schistosoma mansoni ran 0.0045 0.0323 0.0481
Trichomonas vaginalis glucosylceramidase, putative 0.0393 0.3959 0.4682
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Loa Loa (eye worm) hypothetical protein 0.002 0.0058 0.0082
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0387 0.0577
Treponema pallidum hypothetical protein 0.032 0.3199 0.5
Onchocerca volvulus Alhambra homolog 0.0035 0.0215 0.0109
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Trichomonas vaginalis glucosylceramidase, putative 0.0393 0.3959 0.4682
Giardia lamblia PHD finger protein 15 0.0035 0.0215 0.115
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0387 0.0577
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0323 0.1726
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0215 0.242
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0045 0.0323 0.3632
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0114 0.1045 0.0849
Mycobacterium ulcerans DNA polymerase IV 0.0046 0.0333 0.1042
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0099 0.0888 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0193 0.187 1
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.0652 0.092
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0333 0.1782
Giardia lamblia Rrm3p helicase 0.0193 0.187 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0128 0.0181
Plasmodium vivax importin-beta 2, putative 0.0061 0.0492 0.1539
Plasmodium falciparum importin beta, putative 0.0061 0.0492 0.1539
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0387 0.0176
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0046 0.0333 0.047
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0333 0.1782
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0045 0.0323 0.1009
Trichomonas vaginalis glucosylceramidase, putative 0.0393 0.3959 0.4682
Schistosoma mansoni hypothetical protein 0.0193 0.187 0.2788
Echinococcus granulosus GTP binding nuclear protein Ran 0.0045 0.0323 0.0166
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0183 0.098
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0371 0.0062
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.032 0.3199 1
Schistosoma mansoni importin beta-1 0.0061 0.0492 0.0734
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0008 0.0011
Loa Loa (eye worm) hypothetical protein 0.0077 0.0652 0.092
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.032 0.3199 1
Mycobacterium ulcerans DNA polymerase IV 0.0046 0.0333 0.1042
Brugia malayi Importin beta-1 subunit 0.0061 0.0492 0.0694
Trichomonas vaginalis glucosylceramidase, putative 0.0599 0.6113 0.7455
Echinococcus granulosus dna polymerase eta 0.0077 0.0652 0.0673
Onchocerca volvulus Glucosylceramidase homolog 0.0393 0.3959 0.4812
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0128 0.0686
Echinococcus multilocularis dna polymerase kappa 0.0046 0.0333 0.0121
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Entamoeba histolytica Ran family GTPase 0.0045 0.0323 0.1116
Onchocerca volvulus 0.0788 0.809 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.032 0.3199 1
Trichomonas vaginalis glucosylceramidase, putative 0.0393 0.3959 0.4682
Loa Loa (eye worm) hypothetical protein 0.0035 0.0215 0.0303
Trichomonas vaginalis glucosylceramidase, putative 0.0599 0.6113 0.7455
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0128 0.0401
Loa Loa (eye worm) hypothetical protein 0.002 0.0058 0.0082
Trichomonas vaginalis glucosylceramidase, putative 0.0393 0.3959 0.4682
Brugia malayi F/Y-rich N-terminus family protein 0.0015 0.0008 0.0011
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0358 0.0146
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0193 0.187 1
Echinococcus multilocularis importin subunit beta 1 0.0061 0.0492 0.0283
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0099 0.0888 0.0688
Leishmania major DNA polymerase eta, putative 0.0045 0.0319 0.1705
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0046 0.0333 0.0182
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0599 0.6113 0.8622
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0058 0.0181
Leishmania major GTP-binding protein, putative 0.0045 0.0323 0.1726
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0387 0.0176
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0096 0.085 0.0979
Mycobacterium tuberculosis Conserved hypothetical protein 0.0046 0.0333 0.0909
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Schistosoma mansoni hypothetical protein 0.0656 0.6705 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0476 0.0671
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0371 0.0062
Trypanosoma brucei unspecified product 0.0032 0.0183 0.098
Leishmania major DNA polymerase eta, putative 0.0077 0.0652 0.3487
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0046 0.0333 0.1782
Brugia malayi Pre-SET motif family protein 0.0693 0.709 1
Trichomonas vaginalis glucosylceramidase, putative 0.0599 0.6113 0.7455
Trichomonas vaginalis conserved hypothetical protein 0.0193 0.187 0.1992
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.032 0.3199 1
Schistosoma mansoni hypothetical protein 0.0035 0.0215 0.0321
Loa Loa (eye worm) hypothetical protein 0.002 0.0058 0.0082
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0193 0.187 0.1691
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0128 0.0401
Leishmania major DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Trichomonas vaginalis DNA polymerase eta, putative 0.0046 0.0333 0.0014
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.0652 0.3487
Toxoplasma gondii HEAT repeat-containing protein 0.0061 0.0492 0.554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0387 0.0577
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0114 0.1045 0.1279
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0387 0.0546
Brugia malayi Pre-SET motif family protein 0.0099 0.0888 0.1253
Mycobacterium ulcerans hypothetical protein 0.0027 0.0128 0.0401
Giardia lamblia DINP protein human, muc B family 0.0046 0.0333 0.1782
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0058 0.5
Trichomonas vaginalis importin beta-1, putative 0.005 0.0371 0.0062
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0215 0.242
Entamoeba histolytica deoxycytidyl transferase, putative 0.0046 0.0333 0.1177
Echinococcus granulosus dna polymerase kappa 0.0046 0.0333 0.0182
Entamoeba histolytica hypothetical protein, conserved 0.0193 0.187 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0045 0.0323 0.1726
Brugia malayi Bromodomain containing protein 0.0035 0.0215 0.0303
Loa Loa (eye worm) hypothetical protein 0.002 0.0058 0.0082
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0099 0.0888 0.0688
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0292 0.0435
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0193 0.187 1
Schistosoma mansoni ran 0.0045 0.0323 0.0481
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0128 0.0686
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0058 0.0181
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0492 0.2632
Trichomonas vaginalis glucosylceramidase, putative 0.0393 0.3959 0.4682
Brugia malayi jmjC domain containing protein 0.0114 0.1045 0.1474
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0045 0.0323 0.0455
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0333 0.1782

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 1.7783 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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