Detailed information for compound 1493885

Basic information

Technical information
  • TDR Targets ID: 1493885
  • Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6 -oxo-1-phenyl-4,5-dihydropyridazine-3-carboxa mide
  • MW: 456.515 | Formula: C22H24N4O5S
  • H donors: 1 H acceptors: 4 LogP: 1.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1=NN(C(=O)CC1)c1ccccc1)Nc1cc(ccc1C)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C22H24N4O5S/c1-16-7-8-18(32(29,30)25-11-13-31-14-12-25)15-20(16)23-22(28)19-9-10-21(27)26(24-19)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,23,28)
  • InChiKey: JSXAXUSBRCAQMN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methyl-5-morpholinosulfonyl-phenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
  • N-(2-methyl-5-morpholinosulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
  • 6-keto-N-(2-methyl-5-morpholinosulfonyl-phenyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
  • N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
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
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0299 0.0299
Mycobacterium leprae Probable lipase LipE 0.004 0.0281 0.5
Mycobacterium ulcerans lipase LipD 0.004 0.0281 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0626 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0281 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0458 0.0458
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.004 0.0281 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0626 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0513 0.8121 0.8121
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.004 0.0281 0.0281
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0281 0.0734
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0245 0.0245
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0281 0.0734
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0458 0.0458
Echinococcus granulosus CD36 class B scavenger receptor 0.0626 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0299 0.0299
Entamoeba histolytica hypothetical protein 0.0041 0.0299 1
Echinococcus granulosus neuropeptide receptor A26 0.0513 0.8121 0.8121
Echinococcus multilocularis CD36 class B scavenger receptor 0.0626 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0281 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0626 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0281 1
Echinococcus multilocularis lysosome membrane protein 2 0.0626 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0533 0.0533
Echinococcus granulosus CD36 class B scavenger receptor 0.0626 1 1
Brugia malayi hypothetical protein 0.0041 0.0299 0.0299
Entamoeba histolytica hypothetical protein 0.0041 0.0299 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0281 0.0281
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0281 0.0734
Schistosoma mansoni CD36-like class B scavenger receptor 0.0626 1 1
Mycobacterium tuberculosis Conserved protein 0.004 0.0281 0.0734
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0281 0.0281
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0281 0.0281
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0236 0.3543 0.3543
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.0626 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0458 0.0458
Brugia malayi beta-lactamase family protein 0.004 0.0281 0.0281
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Echinococcus multilocularis CD36 class B scavenger receptor 0.0626 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0513 0.8121 0.8121
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0281 0.0734
Entamoeba histolytica hypothetical protein 0.0041 0.0299 1
Echinococcus multilocularis neuropeptide receptor A26 0.0513 0.8121 0.8121
Schistosoma mansoni hypothetical protein 0.0038 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0626 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0245 0.0245
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.0626 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0281 1
Schistosoma mansoni hypothetical protein 0.0041 0.0299 0.0299
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0281 0.0281
Loa Loa (eye worm) follicle stimulating hormone receptor 0.052 0.8243 0.8243
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0281 1
Echinococcus granulosus lysosome membrane protein 2 0.0626 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0533 0.0533
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0281 0.0734
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0281 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0626 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0281 0.0281
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.3821 1
Toxoplasma gondii ABC1 family protein 0.004 0.0281 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0533 0.0533
Entamoeba histolytica hypothetical protein 0.0041 0.0299 1
Mycobacterium tuberculosis Conserved protein 0.004 0.0281 0.0734
Schistosoma mansoni cd36 antigen 0.0236 0.3543 0.3543
Mycobacterium tuberculosis Conserved protein 0.004 0.0281 0.0734
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0458 0.0458
Echinococcus multilocularis CD36 class B scavenger receptor 0.0626 1 1
Loa Loa (eye worm) hypothetical protein 0.0626 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0281 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0281 0.0281
Brugia malayi beta-lactamase 0.004 0.0281 0.0281
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0281 1
Brugia malayi hypothetical protein 0.0236 0.3543 0.3543
Loa Loa (eye worm) hypothetical protein 0.0236 0.3543 0.3543
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0458 0.0458
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0281 0.0734
Brugia malayi follicle stimulating hormone receptor 0.052 0.8243 0.8243
Trichomonas vaginalis esterase, putative 0.004 0.0281 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0458 0.0458
Brugia malayi beta-lactamase family protein 0.004 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.004 0.0281 0.0281
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0281 0.0734
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0281 1
Mycobacterium leprae conserved hypothetical protein 0.004 0.0281 0.5
Leishmania major hypothetical protein, conserved 0.004 0.0281 1
Schistosoma mansoni CD36-like class B scavenger receptor 0.0626 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0281 1
Brugia malayi hypothetical protein 0.0236 0.3543 0.3543
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0458 0.0458
Mycobacterium ulcerans beta-lactamase 0.004 0.0281 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0299 0.0299
Loa Loa (eye worm) beta-lactamase 0.004 0.0281 0.0281
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0281 0.0281
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0281 0.0281
Mycobacterium ulcerans hypothetical protein 0.004 0.0281 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0281 0.0281
Echinococcus granulosus CD36 class B scavenger receptor 0.0626 1 1
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.0626 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0281 0.0281
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.0236 0.3543 0.3543

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 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) 8.2753 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) 9.4662 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
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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