Detailed information for compound 1358419

Basic information

Technical information
  • TDR Targets ID: 1358419
  • Name: 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(phenylmeth yl)benzamide
  • MW: 360.429 | Formula: C21H16N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1n1sc2c(c1=O)cccc2)NCc1ccccc1
  • InChi: 1S/C21H16N2O2S/c24-20(22-14-15-8-2-1-3-9-15)16-10-4-6-12-18(16)23-21(25)17-11-5-7-13-19(17)26-23/h1-13H,14H2,(H,22,24)
  • InChiKey: WBEYUVOYQVFGNU-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(benzyl)-2-(3-keto-1,2-benzothiazol-2-yl)benzamide
  • AB00575576

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Streptococcus pneumoniae serotype 2 (strain D39 / NCTC 7466) Diphosphomevalonate decarboxylase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana diphosphomevalonate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Trypanosoma brucei mevalonate diphosphate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Candida albicans diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Trypanosoma brucei gambiense diphosphomevalonate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128252 All targets in OG5_128252
Brugia malayi diphosphomevalonate decarboxylase family protein Get druggable targets OG5_128252 All targets in OG5_128252
Schistosoma japonicum ko:K01597 diphosphomevalonate decarboxylase [EC4.1.1.33], putative Get druggable targets OG5_128252 All targets in OG5_128252
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Leishmania braziliensis mevalonate-diphosphate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Echinococcus multilocularis diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Onchocerca volvulus Get druggable targets OG5_128252 All targets in OG5_128252
Schistosoma mansoni diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Giardia lamblia Diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Mycobacterium ulcerans diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Leishmania infantum mevalonate-diphosphate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Trypanosoma brucei gambiense diphosphomevalonate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Candida albicans diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Loa Loa (eye worm) diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Leishmania major mevalonate-diphosphate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Trypanosoma brucei mevalonate-diphosphate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Leishmania donovani diphosphomevalonate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Echinococcus granulosus diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Cuticle collagen 6 homolog Diphosphomevalonate decarboxylase   317 aa 317 aa 25.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1899 0.2155
Schistosoma mansoni hypothetical protein 0.0067 0.1899 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0137 0.0098
Trypanosoma brucei Polypeptide deformylase 1 0.0088 0.2958 1
Trichomonas vaginalis set domain proteins, putative 0.0231 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8618 1
Brugia malayi Pre-SET motif family protein 0.0203 0.8618 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0137 0.0617
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0137 0.0098
Mycobacterium ulcerans peptide deformylase 0.0231 0.9992 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2958 1
Loa Loa (eye worm) diphosphomevalonate decarboxylase 0.0046 0.0873 0.0958
Plasmodium vivax peptide deformylase, putative 0.0231 0.9992 1
Chlamydia trachomatis peptide deformylase 0.0231 0.9992 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.1899 0.2155
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0137 0.0967
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0231 0.9992 0.5
Giardia lamblia Diphosphomevalonate decarboxylase 0.0057 0.1416 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.3418 0.3928
Schistosoma mansoni hypothetical protein 0.0031 0.0137 0.0456
Loa Loa (eye worm) hypothetical protein 0.0031 0.0137 0.0098
Treponema pallidum polypeptide deformylase (def) 0.0231 0.9992 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0137 0.0456
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.3418 0.3928
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0137 0.0098
Loa Loa (eye worm) hypothetical protein 0.0046 0.0873 0.0958
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0137 0.0617
Echinococcus granulosus GPCR family 2 0.0031 0.0137 0.0967
Plasmodium falciparum peptide deformylase 0.0231 0.9992 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2958 1
Leishmania major polypeptide deformylase-like protein, putative 0.0088 0.2958 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0137 0.0617
Schistosoma mansoni hypothetical protein 0.0031 0.0137 0.0456
Schistosoma mansoni hypothetical protein 0.0031 0.0137 0.0456
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0053 0.0373
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0231 0.9992 0.5
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.0057 0.1416 1
Onchocerca volvulus 0.0057 0.1416 0.1371
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2958 1
Brugia malayi diphosphomevalonate decarboxylase family protein 0.0057 0.1416 0.1592
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.3418 0.3928
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2958 1
Echinococcus granulosus diphosphomevalonate decarboxylase 0.0057 0.1416 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0137 0.0967
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0231 0.9992 0.5
Toxoplasma gondii hypothetical protein 0.0231 0.9992 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.3418 0.3928
Trypanosoma brucei Peptide deformylase 2 0.0088 0.2958 1
Schistosoma mansoni diphosphomevalonate decarboxylase 0.0057 0.1416 0.7385

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12.4 um PUBCHEM_BIOASSAY: Screening for Inhibitors of the Mevalonate Pathway in Streptococcus Pneumoniae - DPM-DC - Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 549, 556, 550, 557, 555, 1000, 539 ] 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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