Detailed information for compound 1281338

Basic information

Technical information
  • TDR Targets ID: 1281338
  • Name: N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazo l-2-yl)benzamide
  • MW: 350.391 | Formula: C19H14N2O3S
  • H donors: 1 H acceptors: 2 LogP: 2.89 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)n1sc2c(c1=O)cccc2)NCc1ccco1
  • InChi: 1S/C19H14N2O3S/c22-18(20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)21-19(23)16-5-1-2-6-17(16)25-21/h1-11H,12H2,(H,20,22)
  • InChiKey: HRFSFFXXTXEMAV-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-furylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide
  • N-(2-furylmethyl)-4-(3-keto-1,2-benzothiazol-2-yl)benzamide
  • AB00540084

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
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 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
Onchocerca volvulus 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
Leishmania major mevalonate-diphosphate decarboxylase, putative 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
Candida albicans diphosphomevalonate decarboxylase 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
Giardia lamblia Diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Echinococcus granulosus 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
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
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
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Leishmania mexicana diphosphomevalonate decarboxylase, putative Get druggable targets OG5_128252 All targets in OG5_128252
Mycobacterium ulcerans diphosphomevalonate decarboxylase 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
Echinococcus multilocularis diphosphomevalonate decarboxylase Get druggable targets OG5_128252 All targets in OG5_128252
Schistosoma mansoni diphosphomevalonate decarboxylase 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

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
Schistosoma mansoni peptidase Clp (S14 family) 0.0092 1 1
Brugia malayi diphosphomevalonate decarboxylase family protein 0.0057 0.422 0.2431
Loa Loa (eye worm) hypothetical protein 0.0046 0.2381 0.1792
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 0.0057 0.422 0.4979
Loa Loa (eye worm) heterochromatin protein 1 0.0082 0.8336 0.8207
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.2363 0.2714
Schistosoma mansoni chromobox protein 0.0082 0.8336 0.7121
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0092 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.2363 0.2714
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0092 1 1
Onchocerca volvulus 0.0057 0.422 1
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0057 0.422 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.2941 0.6351
Brugia malayi Heterochromatin protein 1 0.0082 0.8336 0.7821
Echinococcus multilocularis chromobox protein 1 0.0082 0.8336 0.7121
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.006 0.4744 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.2363 0.1773
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0057 0.422 0.5
Schistosoma mansoni chromobox protein 0.0082 0.8336 0.7121
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0092 1 1
Giardia lamblia Diphosphomevalonate decarboxylase 0.0057 0.422 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0092 1 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0092 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0092 1 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0092 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0092 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0092 1 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0092 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.006 0.4744 0.5
Trichomonas vaginalis chromobox protein, putative 0.0049 0.2941 0.3419
Echinococcus granulosus chromobox protein 1 0.0082 0.8336 0.7121
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0092 1 1
Echinococcus granulosus chromobox protein 1 0.0082 0.8336 0.7121
Trichomonas vaginalis chromobox protein, putative 0.0082 0.8336 1
Leishmania major mevalonate-diphosphate decarboxylase, putative 0.0057 0.422 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.006 0.4744 0.4744
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0092 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0092 1 1
Trypanosoma brucei mevalonate-diphosphate decarboxylase 0.0057 0.422 0.5
Loa Loa (eye worm) diphosphomevalonate decarboxylase 0.0046 0.2381 0.1792
Trypanosoma brucei mevalonate diphosphate decarboxylase 0.0057 0.422 0.5
Trichomonas vaginalis chromobox protein, putative 0.0049 0.2941 0.3419
Trichomonas vaginalis chromobox protein, putative 0.0082 0.8336 1
Echinococcus granulosus peptidase Clp S14 family 0.006 0.4744 0.0907
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.2363 0.4699
Loa Loa (eye worm) hypothetical protein 0.0092 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.006 0.4744 0.0907
Echinococcus multilocularis chromobox protein 1 0.0082 0.8336 0.7121

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.68 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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