Detailed information for compound 209089

Basic information

Technical information
  • TDR Targets ID: 209089
  • Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulf onamide
  • MW: 253.278 | Formula: C10H11N3O3S
  • H donors: 1 H acceptors: 3 LogP: -0.17 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(=NN1c1ccc(cc1)S(=O)(=O)N)C
  • InChi: 1S/C10H11N3O3S/c1-7-6-10(14)13(12-7)8-2-4-9(5-3-8)17(11,15)16/h2-5H,6H2,1H3,(H2,11,15,16)
  • InChiKey: GLOOJKUWIGSFGC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzenesulfonamide
  • 4-(5-keto-3-methyl-4H-pyrazol-1-yl)benzenesulfonamide
  • 13269-73-3
  • ST5272250
  • 3-Methyl-1-(4'-sulfoamidophenyl)-5-pyrazolone
  • 562963_ALDRICH
  • AIDS-020271
  • AIDS020271
  • p-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-benzenesulfonamide
  • EINECS 236-265-6
  • p-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamide
  • ZINC00092096
  • 4-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzenesulfonamide
  • BAS 03441265

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus purine nucleoside phosphorylase 0.0418 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0818 0.1012
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0418 1 1
Mycobacterium tuberculosis Hypothetical protein 0.0087 0.0963 0.0963
Echinococcus granulosus purine nucleoside phosphorylase 0.0418 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0087 0.0963 0.0963
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.0818 0.0768
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0108 0.154 0.154
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0087 0.0963 0.5
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0108 0.154 0.1493
Treponema pallidum pfs protein (pfs) 0.0087 0.0963 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0418 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0418 1 1
Entamoeba histolytica hypothetical protein 0.0087 0.0963 0.5
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0087 0.0963 0.3516
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0108 0.154 0.0786
Echinococcus multilocularis thymidylate synthase 0.0108 0.154 0.1493
Plasmodium falciparum purine nucleoside phosphorylase 0.0087 0.0963 0.0753
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0087 0.0963 0.5
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0418 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0418 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0055 0.0055
Mycobacterium tuberculosis Conserved hypothetical protein 0.0087 0.0963 0.0963
Toxoplasma gondii Purine nucleoside phosphorylase 0.0087 0.0963 0.0753
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0087 0.0963 0.3516
Echinococcus granulosus methylthioadenosine phosphorylase 0.0087 0.0963 0.0913
Brugia malayi thymidylate synthase 0.0108 0.154 0.154
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0418 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0152 0.2738 1
Loa Loa (eye worm) hypothetical protein 0.0331 0.764 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.207 0.2661
Echinococcus multilocularis purine nucleoside phosphorylase 0.0418 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0331 0.764 0.7627
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0087 0.0963 0.0963
Treponema pallidum uridine phosphorylase (udp) 0.0087 0.0963 1
Toxoplasma gondii phosphorylase family protein 0.0087 0.0963 0.0753
Echinococcus granulosus purine nucleoside phosphorylase 0.0418 1 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0152 0.2738 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0087 0.0963 0.5
Loa Loa (eye worm) thymidylate synthase 0.0108 0.154 0.1963
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0087 0.0963 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0418 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0087 0.0963 0.0963
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0418 1 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0418 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0331 0.764 0.7627
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.005 0.005
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.0818 0.0768
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0087 0.0963 0.0157
Brugia malayi uridine phosphorylase family protein 0.0087 0.0963 0.0963
Toxoplasma gondii phosphorylase family protein 0.0087 0.0963 0.0753
Echinococcus multilocularis purine nucleoside phosphorylase 0.0418 1 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0418 1 1
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0087 0.0963 0.0913
Schistosoma mansoni methylthioadenosine phosphorylase 0.0087 0.0963 0.0157
Echinococcus granulosus purine nucleoside phosphorylase 0.0418 1 1
Echinococcus granulosus uridine phosphorylase 1 0.0087 0.0963 0.0913
Mycobacterium ulcerans thymidylate synthase 0.0108 0.154 0.0786
Schistosoma mansoni uridine phosphorylase 0.0087 0.0963 0.0157
Giardia lamblia Deoxynucleoside kinase 0.0379 0.8934 0.882
Schistosoma mansoni methylthioadenosine phosphorylase 0.0087 0.0963 0.0157
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0152 0.2738 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0087 0.0963 0.0963
Schistosoma mansoni purine nucleoside phosphorylase 0.0418 1 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0087 0.0963 0.0753
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.0818 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.207 0.2661
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0152 0.2738 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.005 0.005
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0087 0.0963 0.0157
Echinococcus multilocularis uridine phosphorylase 1 0.0087 0.0963 0.0913
Loa Loa (eye worm) uridine phosphorylase 0.0087 0.0963 0.1202
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0087 0.0963 0.0963
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0087 0.0963 0.1202
Echinococcus granulosus purine nucleoside phosphorylase 0.0418 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0418 1 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0087 0.0963 0.3516
Brugia malayi MTAP 0.0087 0.0963 0.0963
Mycobacterium leprae probable uridine phosphorylase 0.0087 0.0963 0.0913
Echinococcus granulosus purine nucleoside phosphorylase 0.0418 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0087 0.0963 0.0963
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0087 0.0963 1
Echinococcus granulosus thymidylate synthase 0.0108 0.154 0.1493
Schistosoma mansoni uridine phosphorylase 0.0087 0.0963 0.0157
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0087 0.0963 0.0963
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0152 0.2738 1
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0087 0.0963 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0963 0.0963
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0087 0.0963 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0418 1 1
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0331 0.764 0.7627
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0055 0.0055
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0087 0.0963 0.3516
Brugia malayi Probable ClpP-like protease 0.0081 0.0818 0.0818
Chlamydia trachomatis AMP nucleosidase 0.0087 0.0963 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0087 0.0963 0.3516
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0963 0.0963
Schistosoma mansoni methylthioadenosine phosphorylase 0.0087 0.0963 0.0157
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0087 0.0963 0.0963
Brugia malayi MH2 domain containing protein 0.0127 0.207 0.207
Schistosoma mansoni purine nucleoside phosphorylase 0.0418 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.0818 0.0768
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0152 0.2738 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.31 Binding activity against human Carbonic anhydrase II (hCAII) ChEMBL. 12166932
Log IC50 (binding) = 6.31 Binding activity against human Carbonic anhydrase II (hCAII) ChEMBL. 12166932

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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