Detailed information for compound 1536719

Basic information

Technical information
  • TDR Targets ID: 1536719
  • Name: methyl 2-[methyl-[(7-methyl-3-oxo-4H-1,4-benz oxazin-6-yl)sulfonyl]amino]benzoate
  • MW: 390.41 | Formula: C18H18N2O6S
  • H donors: 1 H acceptors: 4 LogP: 1.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1N(S(=O)(=O)c1cc2NC(=O)COc2cc1C)C
  • InChi: 1S/C18H18N2O6S/c1-11-8-15-13(19-17(21)10-26-15)9-16(11)27(23,24)20(2)14-7-5-4-6-12(14)18(22)25-3/h4-9H,10H2,1-3H3,(H,19,21)
  • InChiKey: CYNKWIQJFHNRHM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[methyl-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]benzoic acid methyl ester
  • 2-[(3-keto-7-methyl-4H-1,4-benzoxazin-6-yl)sulfonyl-methyl-amino]benzoic acid methyl ester
  • A3753/0159124
  • ZINC04520585
  • BAS 14051262
  • MLS000716830
  • SMR000278347

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 heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis Heat shock 70 kDa protein 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Trichomonas vaginalis heat shock protein 70kD, putative 0.0001 0 0.5
Trichomonas vaginalis heat shock protein, putative 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus Heat shock 70 kDa protein 4 0.0001 0 0.5
Brugia malayi Telomerase reverse transcriptase 0.0252 0.7257 1
Loa Loa (eye worm) hypothetical protein 0.0001 0 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0095 0.27 1
Plasmodium falciparum telomerase reverse transcriptase 0.0095 0.27 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0095 0.27 1
Giardia lamblia Telomerase catalytic subunit 0.0095 0.27 1
Entamoeba histolytica heat shock protein70, hsp70A2, putative 0.0001 0 0.5
Leishmania major telomerase reverse transcriptase, putative 0.0095 0.27 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0095 0.27 1
Trichomonas vaginalis heat shock protein, putative 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 related 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Trichomonas vaginalis microsomal stress 70 protein ATPase core precursor, putative 0.0001 0 0.5
Entamoeba histolytica heat shock protein70, hsp70A2, putative 0.0001 0 0.5
Entamoeba histolytica heat shock protein70, hsp70A2, putative 0.0001 0 0.5
Echinococcus granulosus heat shock kda protein 0.0001 0 0.5
Echinococcus granulosus Heat shock 70 kDa protein 4 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Entamoeba histolytica heat shock protein 70, putative 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis Heat shock 70 kDa protein 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis Heat shock 70 kDa protein 4 0.0001 0 0.5
Echinococcus multilocularis heat shock protein kDa heat shock kDa protein 0.0001 0 0.5
Echinococcus granulosus Heat Shock protein family member hsp 3 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis Heat shock 70 kDa protein 4 0.0001 0 0.5
Echinococcus multilocularis Heat shock 70 kDa protein 4 0.0001 0 0.5
Echinococcus granulosus heat shock protein 0.0001 0 0.5
Echinococcus multilocularis 0.0001 0 0.5
Trichomonas vaginalis heat shock protein, putative 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock 70 kDa protein 1 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus Heat shock 70 kDa protein 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative 0.0001 0 0.5
Echinococcus multilocularis 0.0001 0 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0095 0.27 1
Entamoeba histolytica heat shock protein 70 family 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Trichomonas vaginalis heat shock protein, putative 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70b 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus 3'partial|5'partial|heat shock protein 70 0.0001 0 0.5
Trichomonas vaginalis heat shock protein, putative 0.0001 0 0.5
Trichomonas vaginalis heat shock protein, putative 0.0001 0 0.5
Entamoeba histolytica hypothetical protein 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Schistosoma mansoni heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus Heat shock 70 kDa protein 4 0.0001 0 0.5
Entamoeba histolytica 70 kDa heat shock protein, putative 0.0001 0 0.5
Echinococcus multilocularis Heat shock 70 kDa protein 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 related 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Entamoeba histolytica heat shock protein 70 family 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Entamoeba histolytica heat shock protein 70, putative 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Entamoeba histolytica heat shock protein 70, putative 0.0001 0 0.5
Echinococcus multilocularis Heat Shock protein family member (hsp 3) 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 71 kDa protein 0.0001 0 0.5
Echinococcus multilocularis heat shock 70 kda protein 1a 0.0001 0 0.5
Echinococcus granulosus heat shock protein 71 kDa protein 0.0001 0 0.5
Echinococcus granulosus heat shock protein 71 kDa protein 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Loa Loa (eye worm) heat shock 70kDa protein 5 0.0001 0 0.5
Echinococcus granulosus Heat shock 70 kDa protein 4 0.0001 0 0.5
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis Heat shock 70 kDa protein 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 related 0.0001 0 0.5
Echinococcus granulosus Heat shock 70 kDa protein 0.0001 0 0.5
Echinococcus multilocularis Heat shock 70 kDa protein 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Trichomonas vaginalis heat shock protein, putative 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 71 kDa protein 0.0001 0 0.5
Trichomonas vaginalis heat shock protein 70kD, putative 0.0001 0 0.5
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative 0.0001 0 0.5
Trichomonas vaginalis heat shock protein, putative 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus multilocularis heat shock protein 70 0.0001 0 0.5
Trichomonas vaginalis heat shock protein, putative 0.0001 0 0.5
Schistosoma mansoni heat shock protein 70 0.0001 0 0.5
Trypanosoma brucei telomerase reverse transcriptase 0.0095 0.27 1
Entamoeba histolytica heat shock protein 70, putative 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Schistosoma mansoni heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein kDa 0.0001 0 0.5
Echinococcus multilocularis heat shock kda protein 0.0001 0 0.5
Echinococcus multilocularis heat shock 70 kDa protein 1A:1B 0.0001 0 0.5
Echinococcus multilocularis heat shock protein kDa heat shock kDa protein 0.0001 0 0.5
Echinococcus multilocularis 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70 0.0001 0 0.5
Echinococcus granulosus heat shock protein 70b 0.0001 0 0.5
Echinococcus multilocularis Heat shock 70 kDa protein 0.0001 0 0.5
Entamoeba histolytica heat shock protein70, hsp70A2, putative 0.0001 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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

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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