Detailed information for compound 449822

Basic information

Technical information
  • TDR Targets ID: 449822
  • Name: 3-(phenoxymethyl)indeno[1,2-c]pyridazin-5-one
  • MW: 288.3 | Formula: C18H12N2O2
  • H donors: 0 H acceptors: 3 LogP: 2.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1c2cc(COc3ccccc3)nnc2c2c1cccc2
  • InChi: 1S/C18H12N2O2/c21-18-15-9-5-4-8-14(15)17-16(18)10-12(19-20-17)11-22-13-6-2-1-3-7-13/h1-10H,11H2
  • InChiKey: FYSBXMGLLLBKBR-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(phenoxymethyl)-5-indeno[1,2-c]pyridazinone
  • 3-(phenoxymethyl)indeno[3,2-c]pyridazin-5-one
  • 3-(phenoxymethyl)-5-indeno[3,2-c]pyridazinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Monoamine oxidase B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 539 aa 22.3 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 531 aa 23.2 %
Brugia malayi amine oxidase, flavin-containing family protein Monoamine oxidase B   520 aa 479 aa 21.7 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 538 aa 21.0 %
Onchocerca volvulus Mitochondrial fission process protein 1 homolog Monoamine oxidase B   520 aa 469 aa 22.0 %
Dictyostelium discoideum amine oxidase Monoamine oxidase B   520 aa 489 aa 29.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 1 1
Toxoplasma gondii histone lysine-specific demethylase 0.0025 0.0554 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0025 0.0554 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0554 1
Echinococcus multilocularis 0.0025 0.0554 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0554 0.1541
Schistosoma mansoni amine oxidase 0.0025 0.0554 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0025 0.0554 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0025 0.0554 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0245 0.6779 1
Schistosoma mansoni amine oxidase 0.0025 0.0554 1
Brugia malayi Blistered cuticle protein 3 0.0245 0.6779 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0025 0.0554 1
Mycobacterium ulcerans dehydrogenase 0.0025 0.0554 0.0554
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0554 1
Entamoeba histolytica hypothetical protein 0.0038 0.0911 1
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0133 0.3594 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0025 0.0554 1
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0554 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0025 0.0554 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0025 0.0554 1
Leishmania major ferric reductase, putative 0.0133 0.3594 1
Onchocerca volvulus Dual oxidase homolog 0.0245 0.6779 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0333 0.9284 1
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0133 0.3594 1
Treponema pallidum hypothetical protein 0.0038 0.0911 0.5
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0554 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0025 0.0554 1
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0133 0.3594 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0025 0.0554 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0025 0.0554 1
Mycobacterium ulcerans oxidoreductase 0.0025 0.0554 0.0554
Leishmania major UDP-galactopyranose mutase 0.0025 0.0554 0.1541
Chlamydia trachomatis protoporphyrinogen oxidase 0.0025 0.0554 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0554 0.1541
Loa Loa (eye worm) hypothetical protein 0.0112 0.3023 0.3967
Mycobacterium ulcerans monoamine oxidase 0.0025 0.0554 0.0554
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0025 0.0554 0.0554
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0025 0.0554 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.51 uM Inhibition of MAOB in rat brain mitochondria ChEMBL. 17910428
IC50 (binding) = 2.51 uM Inhibition of MAOB in rat brain mitochondria ChEMBL. 17910428
Inhibition (binding) = 0 % Inhibition of MAOA in rat brain mitochondria at 10 uM ChEMBL. 17910428
Inhibition (binding) = 0 % Inhibition of MAOA in rat brain mitochondria at 10 uM ChEMBL. 17910428

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

1 literature reference was collected for this gene.

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