Detailed information for compound 1433398

Basic information

Technical information
  • TDR Targets ID: 1433398
  • Name: 2-[(4-bromophenyl)sulfonylamino]-N-(1,5-dimet hyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
  • MW: 541.417 | Formula: C24H21BrN4O4S
  • H donors: 2 H acceptors: 4 LogP: 4.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
  • InChi: 1S/C24H21BrN4O4S/c1-16-22(24(31)29(28(16)2)18-8-4-3-5-9-18)26-23(30)20-10-6-7-11-21(20)27-34(32,33)19-14-12-17(25)13-15-19/h3-15,27H,1-2H3,(H,26,30)
  • InChiKey: AJAPYXOUCVHDDV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-bromophenyl)sulfonylamino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide
  • 2-[(4-bromophenyl)sulfonylamino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide
  • 2-[(4-bromophenyl)sulfonylamino]-N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)benzamide
  • ZINC03226199
  • MLS000536119
  • SMR000155404
  • T0507-8024

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus guanine nucleotide binding protein Gs 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum lysophospholipase, putative 0.051 0.5821 1
Mycobacterium tuberculosis Possible lysophospholipase 0.051 0.5821 1
Leishmania major monoglyceride lipase, putative 0.051 0.5821 1
Plasmodium falciparum esterase, putative 0.051 0.5821 1
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0434 0.4831 0.4799
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.051 0.5821 0.5
Echinococcus multilocularis apoptotic protease activating factor 1 0.0144 0.1083 0.1029
Schistosoma mansoni fatty-acid amide hydrolase 0.0538 0.6178 0.6154
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0434 0.4831 0.4799
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.051 0.5821 0.5
Onchocerca volvulus 0.0434 0.4831 1
Loa Loa (eye worm) amidase 0.0065 0.006 0.0098
Schistosoma mansoni caspase-7 (C14 family) 0.0144 0.1083 0.1029
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.051 0.5821 0.5
Echinococcus multilocularis inhibitor of apoptosis protein 0.0434 0.4831 0.4799
Schistosoma mansoni hypothetical protein 0.0144 0.1083 0.1029
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0065 0.006 0.5
Echinococcus granulosus apoptotic protease activating factor 1 0.0144 0.1083 0.1029
Echinococcus multilocularis caspase 2 0.0144 0.1083 0.1029
Trichomonas vaginalis conserved hypothetical protein 0.051 0.5821 0.5
Plasmodium vivax PST-A protein 0.051 0.5821 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0065 0.006 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0538 0.6178 0.6154
Plasmodium falciparum lysophospholipase, putative 0.051 0.5821 1
Brugia malayi hypothetical protein 0.0144 0.1083 0.1753
Trypanosoma brucei monoglyceride lipase, putative 0.051 0.5821 1
Brugia malayi Amidase family protein 0.0065 0.006 0.0098
Mycobacterium ulcerans lysophospholipase 0.051 0.5821 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.1083 0.1753
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.051 0.5821 0.5
Loa Loa (eye worm) hypothetical protein 0.0538 0.6178 1
Plasmodium falciparum lysophospholipase, putative 0.051 0.5821 1
Mycobacterium ulcerans hypothetical protein 0.051 0.5821 1
Brugia malayi Cell death protein 3 precursor 0.0144 0.1083 0.1753
Trichomonas vaginalis conserved hypothetical protein 0.051 0.5821 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0538 0.6178 0.6154
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.051 0.5821 0.5
Schistosoma mansoni amidase 0.0538 0.6178 0.6154
Echinococcus granulosus caspase 2 0.0144 0.1083 0.1029
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.051 0.5821 1
Schistosoma mansoni hypothetical protein 0.0434 0.4831 0.4799
Onchocerca volvulus Deterin homolog 0.0434 0.4831 1
Loa Loa (eye worm) hypothetical protein 0.0434 0.4831 0.782
Echinococcus granulosus inhibitor of apoptosis protein 0.0434 0.4831 0.4799
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.051 0.5821 0.5
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0434 0.4831 0.782
Brugia malayi amidase 0.0538 0.6178 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0538 0.6178 0.6154
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0538 0.6178 0.6154
Trypanosoma cruzi monoglyceride lipase, putative 0.051 0.5821 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.1083 0.1753
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0434 0.4831 0.782
Trichomonas vaginalis valacyclovir hydrolase, putative 0.051 0.5821 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.051 0.5821 1
Brugia malayi putative amidase 0.0065 0.006 0.0098
Loa Loa (eye worm) hypothetical protein 0.0434 0.4831 0.782
Brugia malayi Amidase family protein 0.0065 0.006 0.0098
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.051 0.5821 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) amidase 0.0065 0.006 0.0098
Schistosoma mansoni inhibitor of apoptosis protein 0.0434 0.4831 0.4799
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0434 0.4831 0.4799
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0065 0.006 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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

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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