Detailed information for compound 1290317

Basic information

Technical information
  • TDR Targets ID: 1290317
  • Name: 4-(6-ethoxypyridazin-3-yl)oxy-N-(2-methylprop yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
  • MW: 375.426 | Formula: C17H25N7O3
  • H donors: 1 H acceptors: 5 LogP: 2.49 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(nn1)Oc1nc(NCC(C)C)nc(n1)N1CCOCC1
  • InChi: 1S/C17H25N7O3/c1-4-26-13-5-6-14(23-22-13)27-17-20-15(18-11-12(2)3)19-16(21-17)24-7-9-25-10-8-24/h5-6,12H,4,7-11H2,1-3H3,(H,18,19,20,21)
  • InChiKey: KIWCSPCHYIVGRG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(6-ethoxypyridazin-3-yl)oxy-N-isobutyl-6-morpholino-1,3,5-triazin-2-amine
  • 4-[(6-ethoxy-3-pyridazinyl)oxy]-N-isobutyl-6-morpholino-1,3,5-triazin-2-amine
  • [4-(6-ethoxypyridazin-3-yl)oxy-6-morpholino-s-triazin-2-yl]-isobutyl-amine
  • NCGC00101646-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Loa Loa (eye worm) Smad1 0.0018 0.0154 0.0154
Plasmodium falciparum glutathione reductase 0.0018 0.0151 0.1104
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0151 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.137 0.2985
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0151 0.1104
Echinococcus multilocularis dna polymerase eta 0.0043 0.11 0.0963
Trypanosoma brucei trypanothione reductase 0.0051 0.137 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.376 0.8837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.137 0.1238
Brugia malayi glutathione reductase 0.0051 0.137 0.137
Trypanosoma brucei unspecified product 0.003 0.0605 0.4415
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.11 0.8028
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.4235 1
Brugia malayi MH2 domain containing protein 0.0018 0.0154 0.0154
Schistosoma mansoni terminal deoxycytidyl transferase 0.0043 0.11 0.2017
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0043 0.11 0.11
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1646 0.1646
Schistosoma mansoni hypothetical protein 0.0058 0.1646 0.3017
Brugia malayi hypothetical protein 0.0043 0.1102 0.1102
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.11 0.8028
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0154 0.0003
Loa Loa (eye worm) MH2 domain-containing protein 0.0259 0.9032 0.9032
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0151 0.1376
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0151 0.1104
Loa Loa (eye worm) hypothetical protein 0.0043 0.11 0.11
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.11 1
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.11 0.11
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.4235 1
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.137 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.376 0.8837
Entamoeba histolytica hypothetical protein 0.0043 0.1102 1
Entamoeba histolytica hypothetical protein 0.0043 0.1102 1
Brugia malayi MH1 domain containing protein 0.0018 0.0154 0.0154
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0151 0.1104
Plasmodium falciparum glutathione reductase 0.0051 0.137 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0154 0.0282
Schistosoma mansoni Smad4 0.0018 0.0154 0.0282
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0151 0.0277
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0151 0.1104
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Schistosoma mansoni smad 0.0018 0.0154 0.0282
Mycobacterium tuberculosis Conserved hypothetical protein 0.0043 0.11 0.2323
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0151 0.1104
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0151 0.1104
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1102 0.0965
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.11 0.8028
Schistosoma mansoni smad1 5 8 and 0.0018 0.0154 0.0282
Echinococcus granulosus smad 0.0018 0.0154 0.0003
Treponema pallidum NADH oxidase 0.0018 0.0151 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0151 0.5
Leishmania major trypanothione reductase 0.0051 0.137 1
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.11 0.8028
Trypanosoma brucei unspecified product 0.003 0.0605 0.4415
Entamoeba histolytica hypothetical protein 0.0043 0.1102 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0151 0.1104
Brugia malayi MH1 domain containing protein 0.0018 0.0154 0.0154
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0151 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0151 0.1104
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.11 0.8028
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0151 0.1104
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0154 0.0003
Plasmodium vivax glutathione reductase, putative 0.0051 0.137 1
Echinococcus granulosus dna polymerase eta 0.0043 0.11 0.0963
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0151 0.1104
Brugia malayi MH2 domain containing protein 0.0259 0.9032 0.9032
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0151 0.1104
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.137 0.137
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0151 0.1104
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0151 0.1104
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.137 0.1238
Echinococcus granulosus Smad4 0.0018 0.0154 0.0003
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.11 0.11
Echinococcus multilocularis smad 0.0018 0.0154 0.0003
Schistosoma mansoni survival motor neuron protein 0.0058 0.1646 0.3017
Schistosoma mansoni smad1 5 8 and 0.0018 0.0154 0.0282
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1102 0.202
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0151 0.1376
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0151 0.1104
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0151 0.1376
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.11 1
Onchocerca volvulus 0.0058 0.1646 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.137 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.4235 1
Schistosoma mansoni hypothetical protein 0.0043 0.1102 0.202
Plasmodium falciparum thioredoxin reductase 0.0018 0.0151 0.1104
Schistosoma mansoni DNA polymerase eta 0.0043 0.11 0.2017
Loa Loa (eye worm) transcription factor SMAD2 0.0259 0.9032 0.9032
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.11 0.8028
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.376 0.8837
Schistosoma mansoni smad1 5 8 and 0.0018 0.0154 0.0282
Brugia malayi Thioredoxin reductase 0.0051 0.137 0.137
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0151 0.1104
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.11 0.8028
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0151 0.1104
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0043 0.11 0.2323
Mycobacterium tuberculosis Probable reductase 0.0116 0.376 0.8837
Entamoeba histolytica hypothetical protein 0.0043 0.1102 1
Leishmania major DNA polymerase kappa, putative 0.0043 0.11 0.8028
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Toxoplasma gondii thioredoxin reductase 0.0051 0.137 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.137 0.137
Echinococcus granulosus dna polymerase kappa 0.0043 0.11 0.0963
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0151 0.1104
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.11 1
Trypanosoma brucei unspecified product 0.0043 0.11 0.8028
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0154 0.0003
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.376 0.8837
Brugia malayi Smad1 0.0018 0.0154 0.0154
Plasmodium falciparum thioredoxin reductase 0.0051 0.137 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0151 0.1104
Echinococcus multilocularis Smad4 0.0018 0.0154 0.0003
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0043 0.11 0.0963
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0154 0.0154
Echinococcus multilocularis dna polymerase kappa 0.0043 0.11 0.0963
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.11 0.8028
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0043 0.11 0.2017
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.376 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.4235 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1102 0.0965
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0605 0.4415
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0154 0.0154
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.11 0.8028
Giardia lamblia DINP protein human, muc B family 0.0043 0.11 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0151 0.0151
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0151 0.1104
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.11 0.8028
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.11 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0043 0.11 0.0963
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0605 0.4415
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0151 0.1376
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0151 0.1104
Brugia malayi MH2 domain containing protein 0.0018 0.0154 0.0154
Leishmania major DNA polymerase eta, putative 0.0043 0.11 0.8028
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0154 0.0003
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0151 0.1104
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0151 0.1104
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0043 0.11 0.8028
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0605 0.4415
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0151 0.1104

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 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) 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
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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