Detailed information for compound 1279801

Basic information

Technical information
  • TDR Targets ID: 1279801
  • Name: [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]p henyl]-morpholin-4-ylmethanone
  • MW: 374.436 | Formula: C22H22N4O2
  • H donors: 1 H acceptors: 3 LogP: 2.83 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)Nc1ccc(nn1)c1ccccc1C)N1CCOCC1
  • InChi: 1S/C22H22N4O2/c1-16-4-2-3-5-19(16)20-10-11-21(25-24-20)23-18-8-6-17(7-9-18)22(27)26-12-14-28-15-13-26/h2-11H,12-15H2,1H3,(H,23,25)
  • InChiKey: XENRKJTZYKRBEM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholino-methanone
  • [4-[[6-(2-methylphenyl)-3-pyridazinyl]amino]phenyl]-morpholinomethanone
  • [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-yl-methanone
  • MLS000076256
  • Morpholin-4-yl-[4-(6-o-tolyl-pyridazin-3-ylamino)-phenyl]-methanone
  • SMR000007233

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans carbonic anhydrase 0.1535 0.9609 0.9567
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0139 0.0221
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1017 0.6298 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0234 0.0226
Onchocerca volvulus Huntingtin homolog 0.0148 0.0733 0.4696
Schistosoma mansoni tar DNA-binding protein 0.007 0.0234 0.0226
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0464 0.2752 0.4363
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.0851 0.1208
Schistosoma mansoni tar DNA-binding protein 0.007 0.0234 0.0226
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1017 0.6298 0.6295
Echinococcus granulosus tar DNA binding protein 0.007 0.0234 0.0372
Echinococcus granulosus carbonic anhydrase 0.0464 0.2752 0.437
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0352 0.2036 0.3122
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1017 0.6298 0.6295
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0352 0.2036 0.3122
Loa Loa (eye worm) hypothetical protein 0.0148 0.0733 0.1152
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0464 0.2752 0.4363
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1596 1 0.5
Echinococcus granulosus geminin 0.0197 0.1048 0.1665
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0139 0.0208
Schistosoma mansoni tar DNA-binding protein 0.007 0.0234 0.0226
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0464 0.2752 0.4363
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0139 0.0131
Plasmodium falciparum carbonic anhydrase 0.0464 0.2752 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0464 0.2752 0.2746
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.058 0.35 0.4758
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0955 0.5895 0.9264
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0464 0.2752 0.4363
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0139 0.0221
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0234 0.036
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0464 0.2752 0.4363
Brugia malayi TAR-binding protein 0.007 0.0234 0.036
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0166 0.0851 0.1208
Echinococcus multilocularis carbonic anhydrase 0.0464 0.2752 0.4363
Toxoplasma gondii hypothetical protein 0.0057 0.0149 0.0512
Schistosoma mansoni tar DNA-binding protein 0.007 0.0234 0.0226
Echinococcus granulosus carbonic anhydrase 0.0464 0.2752 0.437
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1017 0.6298 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0139 0.0208
Loa Loa (eye worm) carbonic anhydrase 3 0.1017 0.6298 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0008 0.0013
Loa Loa (eye worm) hypothetical protein 0.0148 0.0733 0.1152
Echinococcus multilocularis carbonic anhydrase 0.0464 0.2752 0.4363
Schistosoma mansoni carbonic anhydrase 0.1596 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1017 0.6298 1
Echinococcus multilocularis geminin 0.0197 0.1048 0.1654
Brugia malayi hypothetical protein 0.0148 0.0733 0.1152
Leishmania major carbonic anhydrase family protein, putative 0.1596 1 1
Loa Loa (eye worm) RNA binding protein 0.007 0.0234 0.036
Trypanosoma brucei carbonic anhydrase-like protein 0.1017 0.6298 1
Echinococcus granulosus carbonic anhydrase II 0.1017 0.6298 1
Brugia malayi Pre-SET motif family protein 0.0242 0.1337 0.2112
Leishmania major carbonic anhydrase-like protein 0.1017 0.6298 0.5953
Loa Loa (eye worm) hypothetical protein 0.0464 0.2752 0.4363
Schistosoma mansoni carbonic anhydrase-related 0.0464 0.2752 0.2746
Trichomonas vaginalis conserved hypothetical protein 0.1535 0.9609 1
Leishmania major mitochondrial DNA polymerase beta 0.0352 0.2036 0.1296
Plasmodium vivax SET domain protein, putative 0.0035 0.0008 0.5
Toxoplasma gondii hypothetical protein 0.0464 0.2752 1
Loa Loa (eye worm) TAR-binding protein 0.007 0.0234 0.036
Echinococcus multilocularis tar DNA binding protein 0.007 0.0234 0.036
Onchocerca volvulus Huntingtin homolog 0.0148 0.0733 0.4696
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0139 0.0208
Loa Loa (eye worm) hypothetical protein 0.0464 0.2752 0.4363
Echinococcus multilocularis carbonic anhydrase 0.0464 0.2752 0.4363
Schistosoma mansoni carbonic anhydrase 0.0464 0.2752 0.2746
Mycobacterium ulcerans carbonic anhydrase 0.1596 1 1
Schistosoma mansoni hypothetical protein 0.0464 0.2752 0.2746
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.0171 0.0112
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1016 0.6286 1
Brugia malayi RNA binding protein 0.007 0.0234 0.036
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0464 0.2752 0.4363
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0139 0.0131
Onchocerca volvulus 0.0276 0.1551 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1017 0.6298 1
Echinococcus granulosus carbonic anhydrase 0.0464 0.2752 0.437
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1017 0.6298 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0139 0.0131
Echinococcus multilocularis carbonic anhydrase II 0.1017 0.6298 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0242 0.1337 0.2112
Trichomonas vaginalis conserved hypothetical protein 0.1535 0.9609 1
Schistosoma mansoni carbonic anhydrase-related 0.0464 0.2752 0.2746
Schistosoma mansoni hypothetical protein 0.0197 0.1048 0.1041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0139 0.0208
Loa Loa (eye worm) hypothetical protein 0.0464 0.2752 0.4363
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0352 0.2036 0.3122
Schistosoma mansoni hypothetical protein 0.0197 0.1048 0.1041
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0234 0.036

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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