Detailed information for compound 15202

Basic information

Technical information
  • TDR Targets ID: 15202
  • Name: 3-acetyl-6-pentanoyl-1,3-benzothiazol-2-one
  • MW: 277.339 | Formula: C14H15NO3S
  • H donors: 0 H acceptors: 3 LogP: 2.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(=O)c1ccc2c(c1)sc(=O)n2C(=O)C
  • InChi: 1S/C14H15NO3S/c1-3-4-5-12(17)10-6-7-11-13(8-10)19-14(18)15(11)9(2)16/h6-8H,3-5H2,1-2H3
  • InChiKey: NJFOTMYALKICNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-acetyl-6-(1-oxopentyl)-1,3-benzothiazol-2-one
  • 3-ethanoyl-6-pentanoyl-1,3-benzothiazol-2-one
  • 3-acetyl-6-valeryl-1,3-benzothiazol-2-one

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
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0053 0.2678 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0584 0.0381
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0053 0.2678 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0053 0.2678 1
Entamoeba histolytica type A flavoprotein, putative 0.002 0.0758 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.021 0.0786
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0053 0.2678 1
Loa Loa (eye worm) flavodoxin family protein 0.002 0.0758 0.0559
Schistosoma mansoni vesicular amine transporter 0.0011 0.021 0.0786
Loa Loa (eye worm) hypothetical protein 0.0017 0.0584 0.0381
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0053 0.2678 1
Echinococcus granulosus roundabout 2 0.0017 0.0584 0.1512
Entamoeba histolytica type A flavoprotein, putative 0.002 0.0758 0.5
Trichomonas vaginalis sulfite reductase, putative 0.0053 0.2678 1
Trypanosoma cruzi p450 reductase, putative 0.0053 0.2678 1
Entamoeba histolytica type A flavoprotein, putative 0.002 0.0758 0.5
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0053 0.2678 0.5
Schistosoma mansoni NADPH flavin oxidoreductase 0.0027 0.1135 0.4238
Giardia lamblia Nitric oxide synthase, inducible 0.0047 0.2324 0.5
Schistosoma mansoni cell adhesion molecule 0.0015 0.042 0.1567
Brugia malayi flavodoxin family protein 0.002 0.0758 0.0559
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.021 0.0786
Echinococcus multilocularis neuroglian 0.0014 0.0374 0.0664
Entamoeba histolytica type A flavoprotein, putative 0.002 0.0758 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0053 0.2678 0.2521
Loa Loa (eye worm) FAD binding domain-containing protein 0.0033 0.1489 0.1306
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0033 0.1489 0.5558
Leishmania major cytochrome P450 reductase, putative 0.0047 0.2324 0.8159
Loa Loa (eye worm) hypothetical protein 0.0015 0.042 0.0214
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0053 0.2678 1
Echinococcus granulosus twitchin 0.0014 0.0374 0.0664
Echinococcus multilocularis methionine synthase reductase 0.0033 0.1489 0.518
Echinococcus granulosus methionine synthase reductase 0.0033 0.1489 0.518
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0053 0.2678 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0053 0.2678 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0053 0.2678 1
Onchocerca volvulus Tyrosine kinase homolog 0.0167 0.9313 1
Echinococcus granulosus neuroglian 0.0014 0.0374 0.0664
Chlamydia trachomatis sulfite reductase 0.0033 0.1489 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0178 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0053 0.2678 1
Giardia lamblia Hypothetical protein 0.0047 0.2324 0.5
Brugia malayi FAD binding domain containing protein 0.0033 0.1489 0.1306
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0053 0.2678 1
Plasmodium vivax flavodoxin domain containing protein 0.0047 0.2324 0.8159
Echinococcus multilocularis roundabout 2 0.0017 0.0584 0.1512
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0053 0.2678 1
Schistosoma mansoni cytochrome P450 reductase 0.0053 0.2678 1
Leishmania major p450 reductase, putative 0.0053 0.2678 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0026 0.1111 0.5
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0047 0.2324 0.8159
Schistosoma mansoni diflavin oxidoreductase 0.0026 0.1111 0.415
Entamoeba histolytica type A flavoprotein, putative 0.002 0.0758 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0026 0.1111 0.5
Brugia malayi flavodoxin family protein 0.0053 0.2678 0.2521
Schistosoma mansoni nephrin 0.0014 0.0374 0.1398
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.042 0.0848
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0053 0.2678 1
Treponema pallidum flavodoxin 0.002 0.0758 0.5
Brugia malayi FAD binding domain containing protein 0.0053 0.2678 0.2521
Loa Loa (eye worm) hypothetical protein 0.0053 0.2678 0.2521
Plasmodium falciparum nitric oxide synthase, putative 0.0053 0.2678 1

Activities

Activity type Activity value Assay description Source Reference
MES (functional) The compound was tested for anticonvulsant activity in Maximal electroshock seizure test for 4 hr in mice(ip); active at 300 mg/kg ChEMBL. 9544213
MES (functional) Anticonvulsant activity in Maximal electroshock seizure test at 100 mg/kg i.p. in mice. ChEMBL. 9544213
MES (functional) 0 Anticonvulsant activity in Maximal electroshock seizure test at 100 mg/kg i.p. in mice. ChEMBL. 9544213
MES (functional) 0 The compound was tested for anticonvulsant activity in Maximal electroshock seizure test for 4 hr in mice(ip); active at 300 mg/kg ChEMBL. 9544213
Rotarod toxicity (ADMET) 0 The compound was tested for neurologic toxicity (rotarod) test for 30 min in mice; activity at 100 mg/kg ChEMBL. 9544213
Rotarod toxicity (ADMET) 0 The compound was tested for neurologic toxicity (rotarod) test for 4 hr in mice; no activity or toxicity at 300 mg/kg ChEMBL. 9544213
sc Met (functional) 0 The compound was tested for anticonvulsant activity in subcutaneous pentylenetetrazole seizure test (sc Met) for 30 min in mice; activity at 300 mg/kg ChEMBL. 9544213
sc Met (functional) 0 The compound was tested for anticonvulsant activity in subcutaneous pentylenetetrazole seizure test (sc Met) for 4 hr in mice; activity at 300 mg/kg ChEMBL. 9544213
scMet (functional) The compound was tested for anticonvulsant activity in subcutaneous pentylenetetrazole seizure test (sc Met) for 30 min in mice; activity at 300 mg/kg ChEMBL. 9544213
scMet (functional) The compound was tested for anticonvulsant activity in subcutaneous pentylenetetrazole seizure test (sc Met) for 4 hr in mice; activity at 300 mg/kg ChEMBL. 9544213

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

1 literature reference was collected for this gene.

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