Detailed information for compound 1445788

Basic information

Technical information
  • TDR Targets ID: 1445788
  • Name: N-(2-carbamoylphenyl)-2-methyl-3-oxo-5,6-di(p henyl)pyridazine-4-carboxamide
  • MW: 424.451 | Formula: C25H20N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.55 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1ccccc1NC(=O)c1c(c2ccccc2)c(nn(c1=O)C)c1ccccc1
  • InChi: 1S/C25H20N4O3/c1-29-25(32)21(24(31)27-19-15-9-8-14-18(19)23(26)30)20(16-10-4-2-5-11-16)22(28-29)17-12-6-3-7-13-17/h2-15H,1H3,(H2,26,30)(H,27,31)
  • InChiKey: VCMVXAURZFZSQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-carbamoylphenyl)-2-methyl-3-oxo-5,6-di(phenyl)-4-pyridazinecarboxamide
  • N-(2-carbamoylphenyl)-3-keto-2-methyl-5,6-di(phenyl)pyridazine-4-carboxamide
  • N-(2-aminocarbonylphenyl)-2-methyl-3-oxo-5,6-di(phenyl)pyridazine-4-carboxamide
  • D266-0431
  • NCGC00117548-01
  • ST5402953

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Galectin homolog 0.0394 1 0.5
Plasmodium falciparum flap endonuclease 1 0.0031 0.0271 0.5
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0394 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1362 0.1309
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0271 0.0211
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0394 1 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0271 0.5
Echinococcus multilocularis Galectin, carbohydrate recognition domain 0.0394 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0096 0.0096
Schistosoma mansoni flap endonuclease-1 0.0028 0.019 0.0129
Schistosoma mansoni hypothetical protein 0.0025 0.0096 0.0034
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0394 1 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.1478 0.1425
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0592 0.0533
Brugia malayi Galactoside-binding lectin family protein 0.0394 1 1
Brugia malayi Galactoside-binding lectin family protein 0.0394 1 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0271 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0158 0.0097
Echinococcus granulosus Galectin carbohydrate recognition domain 0.0394 1 1
Echinococcus granulosus flap endonuclease 1 0.0031 0.0271 0.0211
Loa Loa (eye worm) hypothetical protein 0.0394 1 1
Onchocerca volvulus Galectin homolog 0.0394 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0394 1 1
Brugia malayi Flap endonuclease-1 0.0031 0.0271 0.0038
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0271 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0748 0.0748
Schistosoma mansoni galectin 0.0394 1 1
Brugia malayi Bromodomain containing protein 0.0046 0.0669 0.0444
Brugia malayi Galactoside-binding lectin family protein 0.0394 1 1
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0271 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0592 0.0533
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0271 0.0271
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0271 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1362 0.1309
Brugia malayi Bromodomain containing protein 0.0091 0.1858 0.1662
Loa Loa (eye worm) galectin 0.0394 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0158 0.0097
Loa Loa (eye worm) hypothetical protein 0.0046 0.0671 0.0671
Loa Loa (eye worm) galectin 0.0394 1 1
Brugia malayi galectin 0.0394 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0085 0.172 0.172
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0158 0.0097
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0271 0.5
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0271 0.5
Loa Loa (eye worm) hypothetical protein 0.0394 1 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0271 0.5
Brugia malayi galectin 0.0394 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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

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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