Detailed information for compound 1594771

Basic information

Technical information
  • TDR Targets ID: 1594771
  • Name: NSC690228
  • MW: 296.453 | Formula: C6O2S6
  • H donors: 0 H acceptors: 2 LogP: 3.08 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1sc2c(s1)SSc1c2sc(=O)s1
  • InChi: 1S/C6O2S6/c7-5-9-1-2-4(12-6(8)10-2)14-13-3(1)11-5
  • InChiKey: YTGPGBUKPDTQAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCI60_032418

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 DNA polymerase eta, putative 0.0017 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0017 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0403 0.0403
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0403 0.0403
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0403 0.0403
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5
Leishmania major DNA polymerase kappa, putative 0.0017 0 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0017 0 0.5
Trypanosoma brucei unspecified product 0.0017 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0403 0.0403
Trichomonas vaginalis DNA polymerase eta, putative 0.0017 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0 0.5
Echinococcus multilocularis geminin 0.032 0.414 0.414
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0017 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0017 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.075 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0017 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0403 0.0403
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0403 0.0403
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0 0.5
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.075 1 1
Echinococcus granulosus geminin 0.032 0.414 0.414
Schistosoma mansoni hypothetical protein 0.032 0.414 0.414
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0403 0.0403
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.075 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0017 0 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0017 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0017 0 0.5
Schistosoma mansoni hypothetical protein 0.032 0.414 0.414
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0403 0.0403
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0403 0.0403
Mycobacterium ulcerans DNA polymerase IV 0.0017 0 0.5
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.075 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.426 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) -4.382 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) -4.268 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) -4.248 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 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 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 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 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 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 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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