Detailed information for compound 803274

Basic information

Technical information
  • TDR Targets ID: 803274
  • Name: N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1,3 -benzoxazole-6-sulfonamide
  • MW: 352.793 | Formula: C15H13ClN2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
  • InChi: 1S/C15H13ClN2O4S/c1-18-13-7-6-12(8-14(13)22-15(18)19)23(20,21)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9H2,1H3
  • InChiKey: IAYVVEFEQFYVOB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-chlorobenzyl)-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide
  • EU-0060232
  • ZINC05234527

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.5748 0.6572
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0084 0.3117 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0633 0.1042
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0575 0.0657
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0084 0.3117 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.5481 0.6267
Loa Loa (eye worm) acetyltransferase 0.014 0.5748 0.6559
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0575 0.0657
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0633 0.1662
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.5565 0.6363
Entamoeba histolytica DNA repair and recombination protein, putative 0.0084 0.3117 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0017 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.5481 0.6267
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0633 0.1042
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0084 0.3117 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0138 1
Giardia lamblia Rrm3p helicase 0.0084 0.3117 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0138 0.0009
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0084 0.3117 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0084 0.3117 0.3564
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.5481 0.6247
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.3117 0.3117
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0525 0.06
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0575 0.0657
Brugia malayi hypothetical protein 0.003 0.0633 0.0587
Loa Loa (eye worm) hypothetical protein 0.003 0.0633 0.0579
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0633 0.1662
Treponema pallidum bacterioferrin (TpF1) 0.0017 0 0.5
Trichomonas vaginalis set domain proteins, putative 0.0232 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0138 0.0009
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0138 0.0158
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.5481 0.6267
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0084 0.3117 0.3564
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0138 1
Brugia malayi Pre-SET motif family protein 0.0203 0.8691 1
Leishmania major hypothetical protein, conserved 0.003 0.0633 0.1662
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0138 0.0158
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0976 0.2814
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0138 0.0158
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0633 0.1662
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.5481 0.6267
Schistosoma mansoni hypothetical protein 0.0084 0.3117 0.3564
Echinococcus granulosus geminin 0.0205 0.8746 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0575 0.0657
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.5748 0.6572
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0138 1
Echinococcus multilocularis geminin 0.0205 0.8746 1
Schistosoma mansoni DNA polymerase eta 0.002 0.0138 0.0158
Echinococcus granulosus dna polymerase kappa 0.002 0.0138 0.0158
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.1137 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0976 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0575 0.0657
Schistosoma mansoni hypothetical protein 0.0205 0.8746 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0138 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0029 0.0575 0.051
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.1137 0.13
Echinococcus multilocularis dna polymerase eta 0.002 0.0138 0.0158
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.5481 0.6267
Entamoeba histolytica hypothetical protein, conserved 0.0084 0.3117 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0575 0.0657
Schistosoma mansoni hypothetical protein 0.0205 0.8746 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.5481 0.6267
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0575 0.0657
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0084 0.3117 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8691 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0084 0.3117 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.5481 0.6267
Brugia malayi Pre-SET motif family protein 0.0029 0.0575 0.0519
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0138 0.0138
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0084 0.3117 1
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.5748 0.6562
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0138 0.0158
Echinococcus multilocularis dna polymerase kappa 0.002 0.0138 0.0158
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.1137 1
Echinococcus granulosus dna polymerase eta 0.002 0.0138 0.0158
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.1137 0.1137
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.5481 0.625
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.1137 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.1137 0.1137
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0976 0.2814

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0046 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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