Detailed information for compound 1889116

Basic information

Technical information
  • TDR Targets ID: 1889116
  • Name: N-[1-(3-methoxyphenyl)ethylideneamino]-5-pipe ridin-1-ylsulfonylpyridin-2-amine
  • MW: 388.484 | Formula: C19H24N4O3S
  • H donors: 1 H acceptors: 3 LogP: 2.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)/C(=N/Nc1ccc(cn1)S(=O)(=O)N1CCCCC1)/C
  • InChi: 1S/C19H24N4O3S/c1-15(16-7-6-8-17(13-16)26-2)21-22-19-10-9-18(14-20-19)27(24,25)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,20,22)/b21-15+
  • InChiKey: VDZUUDGKQIYAOG-RCCKNPSSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(3-methoxyphenyl)ethylideneamino]-5-(1-piperidylsulfonyl)pyridin-2-amine
  • N-[1-(3-methoxyphenyl)ethylideneamino]-5-(1-piperidylsulfonyl)-2-pyridinamine
  • [1-(3-methoxyphenyl)ethylideneamino]-(5-piperidinosulfonyl-2-pyridyl)amine
  • N-[1-(3-methoxyphenyl)ethylideneamino]-5-piperidin-1-ylsulfonyl-pyridin-2-amine
  • T5495079

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Loa Loa (eye worm) hypothetical protein 0.0399 0.6831 0.9228
Loa Loa (eye worm) hypothetical protein 0.006 0.0547 0.0739
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0193 0.0261
Plasmodium falciparum protoporphyrinogen oxidase 0.0109 0.1449 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0193 0.0261
Echinococcus multilocularis protoporphyrinogen oxidase 0.0109 0.1449 0.2121
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0547 0.0739
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0109 0.1449 1
Loa Loa (eye worm) hypothetical protein 0.014 0.202 0.2729
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0109 0.1449 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0109 0.1449 0.2121
Loa Loa (eye worm) hypothetical protein 0.0399 0.6831 0.9228
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0399 0.6831 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0109 0.1449 0.5
Plasmodium vivax hypothetical protein, conserved 0.0109 0.1449 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2106 0.2846
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2106 0.2846
Brugia malayi SWIRM domain containing protein 0.0429 0.7403 1
Giardia lamblia hypothetical protein 0.0031 0 0.5
Onchocerca volvulus 0.0429 0.7403 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0399 0.6831 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0547 0.0739
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0109 0.1449 0.2121
Brugia malayi MH2 domain containing protein 0.0144 0.2106 0.2846
Leishmania major UDP-galactopyranose mutase 0.0109 0.1449 0.5
Schistosoma mansoni amine oxidase 0.0109 0.1449 0.2121
Entamoeba histolytica SWIRM domain protein 0.0031 0 0.5
Brugia malayi hypothetical protein 0.0109 0.1449 0.1957
Loa Loa (eye worm) hypothetical protein 0.0109 0.1449 0.1957
Entamoeba histolytica hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.1449 0.1957
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0109 0.1449 0.5
Loa Loa (eye worm) hypothetical protein 0.0429 0.7403 1
Plasmodium vivax hypothetical protein, conserved 0.0109 0.1449 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.014 0.202 0.2729
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.046 0.798 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0109 0.1449 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0109 0.1449 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0193 0.0282
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0109 0.1449 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0109 0.1449 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0399 0.6831 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0109 0.1449 0.5
Schistosoma mansoni amine oxidase 0.0109 0.1449 0.2121
Toxoplasma gondii histone lysine-specific demethylase 0.0109 0.1449 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0547 0.0739
Echinococcus multilocularis 0.0109 0.1449 0.2121
Entamoeba histolytica SWIRM domain protein 0.0031 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0569 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 18.526 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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
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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