Detailed information for compound 1317484

Basic information

Technical information
  • TDR Targets ID: 1317484
  • Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-[(4-me thoxyphenyl)methyl]piperidine-4-carboxamide
  • MW: 387.433 | Formula: C19H25N5O4
  • H donors: 1 H acceptors: 4 LogP: 2.28 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNC(=O)C1CCN(CC1)c1nc(OC)nc(n1)OC
  • InChi: 1S/C19H25N5O4/c1-26-15-6-4-13(5-7-15)12-20-16(25)14-8-10-24(11-9-14)17-21-18(27-2)23-19(22-17)28-3/h4-7,14H,8-12H2,1-3H3,(H,20,25)
  • InChiKey: MJUZXKPNBBBDPU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-[(4-methoxyphenyl)methyl]-4-piperidinecarboxamide
  • 1-(4,6-dimethoxy-s-triazin-2-yl)-N-(4-methoxybenzyl)isonipecotamide
  • 1-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-piperidine-4-carboxylic acid 4-methoxy-benzylamide
  • MLS000556680
  • SMR000173455
  • ASN 06571289
  • ZINC04965352

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 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
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.3008 0.3008
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0914 0.3038
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.2235 0.3708
Echinococcus multilocularis GPCR, family 2 0.0064 0.0914 0.3038
Loa Loa (eye worm) MH2 domain-containing protein 0.0362 1 1
Onchocerca volvulus 0.0036 0.0065 0.0092
Onchocerca volvulus 0.0036 0.0065 0.0092
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0065 0.0065
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.2235 0.3708
Schistosoma mansoni hypothetical protein 0.0072 0.1172 0.3318
Echinococcus granulosus GPCR family 2 0.0064 0.0914 0.3038
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0065 0.0215
Leishmania major trypanothione reductase 0.0047 0.0406 1
Onchocerca volvulus 0.0036 0.0065 0.0092
Echinococcus granulosus tar DNA binding protein 0.0132 0.3008 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Brugia malayi beta-lactamase family protein 0.0036 0.0065 0.0065
Entamoeba histolytica hypothetical protein 0.0072 0.1172 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.2598 0.4329
Brugia malayi Thioredoxin reductase 0.0047 0.0406 0.0406
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0406 0.0406
Schistosoma mansoni hypothetical protein 0.0064 0.0914 0.2588
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0914 0.0914
Loa Loa (eye worm) hypothetical protein 0.0201 0.5095 0.5095
Brugia malayi beta-lactamase family protein 0.0036 0.0065 0.0065
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.2598 0.4329
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.1172 0.3895
Trichomonas vaginalis set domain proteins, putative 0.0266 0.7082 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0201 0.5095 0.5095
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.2235 0.3708
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0065 0.5
Mycobacterium ulcerans hypothetical protein 0.0036 0.0065 0.5
Echinococcus multilocularis tar DNA binding protein 0.0132 0.3008 1
Brugia malayi glutathione reductase 0.0047 0.0406 0.0406
Brugia malayi hypothetical protein 0.0072 0.1172 0.1172
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0406 0.1351
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0065 0.0184
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0065 0.5
Loa Loa (eye worm) beta-lactamase 0.0036 0.0065 0.0065
Trypanosoma brucei trypanothione reductase 0.0047 0.0406 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0406 0.1351
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.1172 0.3895
Plasmodium falciparum glutathione reductase 0.0047 0.0406 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0201 0.5095 0.5095
Onchocerca volvulus 0.0266 0.7082 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.0406 0.5
Loa Loa (eye worm) glutathione reductase 0.0047 0.0406 0.0406
Schistosoma mansoni hypothetical protein 0.0064 0.0914 0.2588
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.2235 0.3708
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0914 0.0914
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0406 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.3159 0.3159
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3008 0.8519
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3008 0.8519
Entamoeba histolytica hypothetical protein 0.0072 0.1172 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.2598 0.4329
Entamoeba histolytica hypothetical protein 0.0072 0.1172 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0914 0.3038
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0914 0.3038
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0065 0.0065
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0065 0.0184
Toxoplasma gondii thioredoxin reductase 0.0047 0.0406 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0065 0.1595
Brugia malayi RNA binding protein 0.0132 0.3008 0.3008
Loa Loa (eye worm) TAR-binding protein 0.0132 0.3008 0.3008
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.2235 0.3708
Loa Loa (eye worm) hypothetical protein 0.0137 0.3159 0.3159
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.1172 0.3318
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.2235 0.8566
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0234 0.6099 0.6099
Brugia malayi TAR-binding protein 0.0132 0.3008 0.3008
Toxoplasma gondii ABC1 family protein 0.0036 0.0065 0.1595
Mycobacterium tuberculosis Probable reductase 0.0107 0.2235 0.3708
Brugia malayi beta-lactamase 0.0036 0.0065 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3008 0.8519
Mycobacterium ulcerans beta-lactamase 0.0036 0.0065 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.3008 0.3008
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0406 0.0583
Mycobacterium ulcerans lipase LipD 0.0036 0.0065 0.5
Entamoeba histolytica hypothetical protein 0.0072 0.1172 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0406 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0914 0.0914
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0065 0.0215
Brugia malayi Pre-SET motif family protein 0.0234 0.6099 0.6099
Schistosoma mansoni hypothetical protein 0.0064 0.0914 0.2588
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0914 0.3038
Loa Loa (eye worm) transcription factor SMAD2 0.0362 1 1
Schistosoma mansoni hypothetical protein 0.0064 0.0914 0.2588
Schistosoma mansoni hypothetical protein 0.0137 0.3159 0.8947
Plasmodium vivax glutathione reductase, putative 0.0047 0.0406 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.5917 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3008 0.8519
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.5095 0.5095
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.2598 1
Loa Loa (eye worm) RNA binding protein 0.0132 0.3008 0.3008
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3008 0.8519
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0914 0.0914

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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 (binding) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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