Detailed information for compound 1605754

Basic information

Technical information
  • TDR Targets ID: 1605754
  • Name: (14R)-2,6,9,13-tetrathiabicyclo[12.4.0]octade cane
  • MW: 322.616 | Formula: C14H26S4
  • H donors: 0 H acceptors: 0 LogP: 4.65 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCSC2CCCC[C@H]2SCCCSCCS1
  • InChi: 1S/C14H26S4/c1-2-6-14-13(5-1)17-9-3-7-15-11-12-16-8-4-10-18-14/h13-14H,1-12H2/t13-,14?/m1/s1
  • InChiKey: FXFGLYRNCVPDND-KWCCSABGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • NSC650785
  • NCI60_017702

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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0183 0.0421 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0222 0.5037
Schistosoma mansoni hypothetical protein 0.1099 0.2894 0.2894
Schistosoma mansoni protein kinase 0.2631 0.7032 0.7032
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0106 0.0106
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0035 0.0019 0.0019
Schistosoma mansoni serine/threonine protein kinase 0.1112 0.2931 0.2931
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0193 0.4327
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1099 0.2894 1
Echinococcus granulosus tumor protein p63 0.0688 0.1784 0.1791
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 0.0348 0.8197
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0183 0.0421 0.1395
Schistosoma mansoni hypothetical protein 0.0035 0.002 0.002
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.1112 0.2931 0.2941
Echinococcus granulosus smad 0.0033 0.0015 0.0015
Echinococcus multilocularis smad 0.0033 0.0015 0.0016
Echinococcus granulosus tar DNA binding protein 0.0067 0.0106 0.0107
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0146 0.032 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0193 0.4316
Toxoplasma gondii target of rapamycin (TOR), putative 0.0136 0.0294 0.119
Brugia malayi TAR-binding protein 0.0067 0.0106 0.0106
Brugia malayi MH1 domain containing protein 0.0033 0.0015 0.0015
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0136 0.0294 0.684
Schistosoma mansoni Smad4 0.0033 0.0015 0.0015
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0061 0.0092 0.0252
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.0092 0.0092
Echinococcus multilocularis 0.2631 0.7032 0.7473
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0092 0.1803
Echinococcus multilocularis Smad4 0.0033 0.0015 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0193 0.4327
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1099 0.2894 0.2894
Schistosoma mansoni serine/threonine protein kinase 0.1112 0.2931 0.2931
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0319 0.7477
Schistosoma mansoni smad1 5 8 and 0.0033 0.0015 0.0015
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0092 0.0092
Loa Loa (eye worm) Smad1 0.0033 0.0015 0.0015
Loa Loa (eye worm) MH2 domain-containing protein 0.0486 0.1239 0.1243
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0061 0.0092 0.0092
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0035 0.0019 0.0019
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0106 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0092 0.1803
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0183 0.0421 0.1395
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0106 0.0106
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0063 0.0063
Schistosoma mansoni smad 0.0033 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0092 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0183 0.0421 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0106 0.0106
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0106 0.0106
Schistosoma mansoni smad1 5 8 and 0.0033 0.0015 0.0015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0063 0.0063
Schistosoma mansoni protein kinase 0.3729 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0183 0.0421 1
Brugia malayi hypothetical protein 0.1099 0.2894 0.2894
Schistosoma mansoni fkbp-rapamycin associated protein 0.0035 0.0019 0.0019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0136 0.0294 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0193 0.4327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0136 0.0294 0.684
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0106 0.0113
Schistosoma mansoni microtubule-associated protein tau 0.3511 0.941 0.941
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0183 0.0421 0.0421
Echinococcus multilocularis microtubule associated protein 2 0.3511 0.941 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0219 0.4963
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0888 0.2324 0.247
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0145 0.0318 0.0319
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1112 0.2931 0.3115
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.1099 0.2894 0.2905
Trichomonas vaginalis PIKK family atypical protein kinase 0.0183 0.0421 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0247 0.5673
Loa Loa (eye worm) RNA binding protein 0.0067 0.0106 0.0107
Toxoplasma gondii MAPEG family protein 0.0888 0.2324 1
Schistosoma mansoni vam6/vps39 related 0.1099 0.2894 0.2894
Loa Loa (eye worm) hypothetical protein 0.1099 0.2894 0.2905
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0193 0.4316
Entamoeba histolytica hypothetical protein 0.0145 0.0318 0.7438
Brugia malayi MH2 domain containing protein 0.0486 0.1239 0.1239
Schistosoma mansoni hypothetical protein 0.0145 0.0318 0.0318
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0059 0.0976
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1112 0.2931 0.2941
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0061 0.0092 0.0252
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0183 0.0421 0.1395
Loa Loa (eye worm) hypothetical protein 0.0039 0.003 0.003
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0076 0.0131 0.0389
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0183 0.0421 0.0422
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0106 0.0106
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0061 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0051 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0035 0.002 0.002
Onchocerca volvulus 0.0101 0.0198 0.0684
Echinococcus granulosus microsomal glutathione S transferase 3 0.0888 0.2324 0.2333
Echinococcus granulosus serine:threonine protein kinase mig 15 0.3716 0.9964 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0015 0.0015
Echinococcus granulosus serine protein kinase ATM 0.0035 0.0019 0.002
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1099 0.2894 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0145 0.0318 0.0338
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0063 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0123 0.0258 0.594
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1099 0.2894 1
Schistosoma mansoni rap gtpase-activating protein 0.1099 0.2894 0.2894
Echinococcus multilocularis serine protein kinase ATM 0.0035 0.0019 0.0021
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0183 0.0421 0.1395
Loa Loa (eye worm) hypothetical protein 0.3716 0.9964 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0015 0.0016
Echinococcus granulosus protein kinase 0.2631 0.7032 0.7057
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1112 0.2931 0.3115
Brugia malayi Smad1 0.0033 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0193 0.4316
Loa Loa (eye worm) transcription factor SMAD2 0.0486 0.1239 0.1243
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0222 0.5037
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0888 0.2324 0.2324
Brugia malayi RNA binding protein 0.0067 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0037 0.0027 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0092 0.1803
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.002 0.002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0136 0.0294 0.684
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0061 0.0092 0.0252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0136 0.0294 0.684
Brugia malayi hypothetical protein 0.0145 0.0318 0.0318
Giardia lamblia GTOR 0.0183 0.0421 0.5
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0183 0.0421 1
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.1112 0.2931 0.3115
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1099 0.2894 0.2894
Loa Loa (eye worm) hypothetical protein 0.0035 0.0019 0.002
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0035 0.0019 0.0021
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.1099 0.2894 0.3076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0136 0.0294 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0319 0.7477
Brugia malayi Protein kinase domain containing protein 0.1112 0.2931 0.2931
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0061 0.0092 0.0252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0183 0.0421 1
Schistosoma mansoni microsomal glutathione s-transferase 0.0888 0.2324 0.2324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0319 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0222 0.5037
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0087 0.016 0.0488
Schistosoma mansoni smad1 5 8 and 0.0033 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0092 0.1803
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0106 0.0106
Brugia malayi MH2 domain containing protein 0.0033 0.0015 0.0015
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0015 0.0015
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.2631 0.7032 0.7057
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0183 0.0421 0.0447
Brugia malayi Temporarily assigned gene name protein 59 0.1099 0.2894 0.2894
Brugia malayi MH1 domain containing protein 0.0033 0.0015 0.0015
Entamoeba histolytica hypothetical protein 0.0145 0.0318 0.7438
Brugia malayi MH2 domain containing protein 0.0033 0.0015 0.0015
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.1112 0.2931 0.2941
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0319 0.7477
Loa Loa (eye worm) hypothetical protein 0.1099 0.2894 0.2905
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0015 0.0016
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0035 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0101 0.0198 0.0199
Echinococcus granulosus Smad4 0.0033 0.0015 0.0015
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0039 0.003 0.0046
Schistosoma mansoni protein kinase 0.1112 0.2931 0.2931
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0035 0.0019 0.002
Echinococcus multilocularis tumor protein p63 0.0688 0.1784 0.1896
Trypanosoma cruzi target of rapamycin kinase 3 0.0146 0.032 0.1045
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0106 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.003 0.0266
Echinococcus granulosus microtubule associated protein 2 0.3511 0.941 0.9444
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0146 0.032 0.1045
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1112 0.2931 0.2941
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0319 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0219 0.4963
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0183 0.0421 1
Entamoeba histolytica hypothetical protein 0.0145 0.0318 0.7438
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0183 0.0421 0.0421
Onchocerca volvulus 0.1099 0.2894 1
Schistosoma mansoni transcription factor LCR-F1 0.0145 0.0318 0.0318
Echinococcus granulosus Vam6:Vps39 protein 0.1099 0.2894 0.2905
Loa Loa (eye worm) phosphatidylinositol 3 0.0183 0.0421 0.0422
Schistosoma mansoni cellular tumor antigen P53 0.0101 0.0198 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0193 0.4327
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0061 0.0092 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0136 0.0294 0.684
Loa Loa (eye worm) hypothetical protein 0.1099 0.2894 0.2905
Entamoeba histolytica hypothetical protein 0.0145 0.0318 0.7438

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.354 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) -4.186 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) -4.14 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 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 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 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 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 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.