Detailed information for compound 1589705

Basic information

Technical information
  • TDR Targets ID: 1589705
  • Name: 5-(1,3-benzodioxol-5-yl)-1,2-thiazole-3-thion e
  • MW: 237.298 | Formula: C10H7NO2S2
  • H donors: 1 H acceptors: 0 LogP: 1.9 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=c1[nH]sc(c1)c1ccc2c(c1)OCO2
  • InChi: 1S/C10H7NO2S2/c14-10-4-9(15-11-10)6-1-2-7-8(3-6)13-5-12-7/h1-4H,5H2,(H,11,14)
  • InChiKey: QRJQDQCLOCDBTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(1,3-benzodioxol-5-yl)isothiazole-3-thione
  • 5-(1,3-benzodioxol-5-yl)-3-isothiazolethione
  • AIDS-143941
  • AIDS143941
  • NSC665735
  • NCI60_022719
  • 5-(1,3-Benzodioxol-5-yl)-3(2H)-isothiazolethione

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
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1469 0.2543 0.8563
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1708 0.2969 0.4245
Loa Loa (eye worm) hypothetical protein 0.0265 0.0397 0.132
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0017 0.0037
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0121 0.0141 0.0202
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0052 0.0017 0.0017
Echinococcus granulosus twitchin 0.0281 0.0426 0.0601
Echinococcus multilocularis Immunoglobulin 0.0239 0.0351 0.0503
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0006 0.0006
Plasmodium vivax serine/threonine protein kinase 6, putative 0.066 0.1101 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.1708 0.2969 1
Echinococcus granulosus roundabout 2 0.0294 0.0449 0.0635
Echinococcus multilocularis hemicentin 1 0.0052 0.0017 0.0025
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.027 0.0407 0.5
Loa Loa (eye worm) AUR protein kinase 0.066 0.1101 0.3696
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0239 0.0351 0.0351
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1708 0.2969 0.425
Schistosoma mansoni titin 0.0052 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0052 0.0017 0.0037
Schistosoma mansoni nephrin 0.0055 0.0024 0.0024
Echinococcus granulosus peroxidasin 0.0052 0.0018 0.0016
Schistosoma mansoni serine/threonine protein kinase 0.1708 0.2969 0.2969
Echinococcus multilocularis roundabout 2 0.0055 0.0024 0.0034
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.027 0.0407 0.5
Echinococcus multilocularis Immunoglobulin 0.0239 0.0351 0.0503
Loa Loa (eye worm) hypothetical protein 0.0239 0.0351 0.1164
Echinococcus granulosus cytochrome P450 2K1 0.027 0.0407 0.0574
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0052 0.0017 0.0037
Loa Loa (eye worm) cytochrome P450 0.027 0.0407 0.1352
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0052 0.0017 0.0037
Echinococcus granulosus lachesin 0.0052 0.0017 0.0016
Echinococcus multilocularis roundabout 2 0.0055 0.0024 0.0034
Brugia malayi Immunoglobulin I-set domain containing protein 0.0242 0.0357 0.1185
Schistosoma mansoni roundabout 0.0052 0.0017 0.0017
Schistosoma mansoni neuroglian 0.0055 0.0024 0.0024
Brugia malayi Peroxidasin 0.0052 0.0018 0.0039
Mycobacterium leprae putative cytochrome p450 0.027 0.0407 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.123 0.2117 0.7124
Entamoeba histolytica serine/threonine protein kinase, putative 0.1708 0.2969 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0055 0.0024 0.0024
Loa Loa (eye worm) cytochrome P450 family protein 0.0444 0.0717 0.2398
Echinococcus multilocularis roundabout 2 0.0294 0.0449 0.0643
Echinococcus multilocularis neuroglian 0.0055 0.0024 0.0034
Loa Loa (eye worm) hypothetical protein 0.0239 0.0351 0.1164
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0121 0.0141 0.0193
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0017 0.0037
Brugia malayi Immunoglobulin I-set domain containing protein 0.0147 0.0187 0.0609
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.027 0.0407 0.5
Schistosoma mansoni tyrosine kinase 0.0121 0.0141 0.0141
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0017 0.0037
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0024 0.0059
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0024 0.0059
Loa Loa (eye worm) hypothetical protein 0.0312 0.0482 0.1606
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.3962 0.6985 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0055 0.0024 0.0059
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.027 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0017 0.0037
Brugia malayi Immunoglobulin I-set domain containing protein 0.1469 0.2543 0.8563
Schistosoma mansoni titin 0.0045 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0052 0.0017 0.0037
Trypanosoma cruzi polo-like protein kinase, putative 0.1708 0.2969 1
Loa Loa (eye worm) TK protein kinase 0.0147 0.0187 0.0609
Brugia malayi Cytochrome P450 family protein 0.0444 0.0717 0.2398
Loa Loa (eye worm) AUR protein kinase 0.066 0.1101 0.3696
Trichomonas vaginalis CAMK family protein kinase 0.1708 0.2969 1
Echinococcus multilocularis neuroglian 0.0264 0.0397 0.0568
Echinococcus multilocularis 0.027 0.0407 0.0583
Brugia malayi Fibronectin type III domain containing protein 0.0242 0.0357 0.1185
Loa Loa (eye worm) TK/ROR protein kinase 0.0049 0.0014 0.0024
Echinococcus granulosus serine:threonine protein kinase 12 B 0.066 0.1101 0.1569
Schistosoma mansoni cell adhesion molecule 0.0268 0.0404 0.0404
Brugia malayi Cytochrome P450 family protein 0.0444 0.0717 0.2398
Trichomonas vaginalis CAMK family protein kinase 0.1708 0.2969 1
Brugia malayi cytochrome P450 0.027 0.0407 0.1352
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.027 0.0407 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0444 0.0717 0.2398
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.027 0.0407 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1708 0.2969 1
Echinococcus granulosus roundabout 2 0.0055 0.0024 0.0025
Onchocerca volvulus 0.118 0.2029 0.6827
Brugia malayi Cytochrome P450 family protein 0.1027 0.1756 0.5905
Echinococcus granulosus aurora kinase A 0.066 0.1101 0.1569
Schistosoma mansoni vesicular amine transporter 0.0239 0.0351 0.0351
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0239 0.0351 0.0351
Echinococcus granulosus fibroblast growth factor receptor 4 0.0121 0.0141 0.0193
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0055 0.0024 0.0034
Trypanosoma cruzi cytochrome P450, putative 0.0444 0.0717 0.1209
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0239 0.0351 0.0503
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0055 0.0024 0.0034
Echinococcus granulosus roundabout 2 0.0055 0.0024 0.0025
Brugia malayi hypothetical protein 0.0312 0.0482 0.1606
Loa Loa (eye worm) hypothetical protein 0.0055 0.0024 0.0059
Trypanosoma brucei aurora B kinase 0.066 0.1101 0.2711
Loa Loa (eye worm) hypothetical protein 0.0052 0.0017 0.0037
Loa Loa (eye worm) hypothetical protein 0.0242 0.0357 0.1185
Plasmodium falciparum serine/threonine protein kinase, putative 0.066 0.1101 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0017 0.0037
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0052 0.0017 0.0025
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.3962 0.6985 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.066 0.1101 0.1577
Schistosoma mansoni nephrin 0.0268 0.0403 0.0403
Toxoplasma gondii aurora kinase 0.066 0.1101 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0024 0.0059
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.027 0.0407 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1708 0.2969 1
Trichomonas vaginalis CAMK family protein kinase 0.1708 0.2969 1
Leishmania major cytochrome p450-like protein 0.0444 0.0717 0.1209
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0017 0.0037
Trypanosoma brucei polo-like protein kinase 0.1708 0.2969 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0018 0.0039
Leishmania major protein kinase, putative 0.066 0.1101 0.2711
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0055 0.0024 0.0025
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0121 0.0141 0.0202
Loa Loa (eye worm) CYP4Cod1 0.0444 0.0717 0.2398
Loa Loa (eye worm) hypothetical protein 0.0239 0.0352 0.1165
Brugia malayi Prion-like- 0.0052 0.0017 0.0037
Echinococcus granulosus neuroglian 0.0264 0.0397 0.0559
Schistosoma mansoni septate junction protein 0.0052 0.0017 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.027 0.0407 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.027 0.0407 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.027 0.0407 0.5
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0049 0.0014 0.0019
Trichomonas vaginalis CAMK family protein kinase 0.1708 0.2969 1
Loa Loa (eye worm) cytochrome P450 family protein 0.1027 0.1756 0.5905
Loa Loa (eye worm) hypothetical protein 0.029 0.0443 0.1474
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0055 0.0024 0.0034
Schistosoma mansoni cell adhesion molecule 0.0055 0.0024 0.0024
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.027 0.0407 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0052 0.0017 0.0037
Schistosoma mansoni cell adhesion molecule 0.0052 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0052 0.0017 0.0037
Brugia malayi serine/threonine-protein kinase 6 0.066 0.1101 0.3696
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.027 0.0407 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.027 0.0407 0.5
Trypanosoma brucei cytochrome P450, putative 0.0444 0.0717 0.1209
Schistosoma mansoni cell adhesion molecule 0.0055 0.0024 0.0024
Trypanosoma cruzi aurora B kinase, putative 0.066 0.1101 0.2711
Giardia lamblia Kinase, PLK 0.1708 0.2969 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.0235 0.0773
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0055 0.0024 0.0034
Trypanosoma cruzi polo-like protein kinase, putative 0.1708 0.2969 1
Echinococcus granulosus hemicentin 1 0.0052 0.0017 0.0016
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0017 0.0037
Echinococcus multilocularis aurora kinase A 0.066 0.1101 0.1577
Schistosoma mansoni septate junction protein 0.0052 0.0017 0.0017
Trypanosoma cruzi cytochrome P450, putative 0.0444 0.0717 0.1209
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.027 0.0407 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0265 0.0397 0.056
Echinococcus granulosus defective proboscis extension response 0.0239 0.0351 0.0494
Echinococcus granulosus tyrosine protein kinase otk 0.0052 0.0017 0.0016
Brugia malayi serine/threonine kinase 12 0.066 0.1101 0.3696
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.027 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.0242 0.0357 0.1185
Echinococcus multilocularis peroxidasin 0.0052 0.0018 0.0025
Echinococcus multilocularis tyrosine protein kinase otk 0.0052 0.0017 0.0025
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.027 0.0407 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1708 0.2969 1
Echinococcus multilocularis lachesin 0.0052 0.0017 0.0025
Echinococcus multilocularis hemicentin 1 0.0052 0.0017 0.0025
Brugia malayi serine/threonine protein kinase 6 0.066 0.1101 0.3696
Echinococcus multilocularis titin 0.0045 0.0006 0.0009
Echinococcus granulosus contactin 0.0055 0.0024 0.0025
Brugia malayi serine/threonine-protein kinase plk-2 0.1708 0.2969 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0017 0.0037
Schistosoma mansoni tyrosine kinase 0.0075 0.006 0.006
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1708 0.2969 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.027 0.0407 0.5
Echinococcus granulosus neuroglian 0.0055 0.0024 0.0025
Mycobacterium leprae Conserved hypothetical protein 0.027 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.029 0.0443 0.1474
Brugia malayi Cytochrome P450 family protein 0.027 0.0407 0.1352
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.027 0.0407 0.5
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0049 0.0014 0.001
Schistosoma mansoni hypothetical protein 0.027 0.0407 0.0407
Brugia malayi hypothetical protein 0.0242 0.0357 0.1185
Trichomonas vaginalis CAMK family protein kinase 0.1708 0.2969 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.0357 0.1185
Echinococcus granulosus Immunoglobulin 0.0239 0.0351 0.0494
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0444 0.0717 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.027 0.0407 0.5
Schistosoma mansoni protein kinase 0.066 0.1101 0.1101
Schistosoma mansoni cytochrome P450 0.027 0.0407 0.0407
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0071 0.0053 0.0156
Schistosoma mansoni serine/threonine protein kinase 0.066 0.1101 0.1101
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.027 0.0407 0.5
Loa Loa (eye worm) AUR protein kinase 0.066 0.1101 0.3696

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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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