Detailed information for compound 1633443

Basic information

Technical information
  • TDR Targets ID: 1633443
  • Name: 2,6,11,15,20,24-Hexathia-8,9,17,18,26,27-hexa azatetracyclo[23.2.2.2~7,10~.2~16,19~]tritria conta-1(27),7,9,16,18,25,28,30,32-nonaene
  • MW: 552.845 | Formula: C21H24N6S6
  • H donors: 0 H acceptors: 6 LogP: 5 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 2
  • SMILES: C1CSc2ccc(nn2)SCCCSc2ccc(SCCCSc3ccc(SC1)nn3)nn2
  • InChi: 1S/C21H24N6S6/c1-10-28-16-4-6-18(24-22-16)30-12-2-14-32-20-8-9-21(27-26-20)33-15-3-13-31-19-7-5-17(23-25-19)29-11-1/h4-9H,1-3,10-15H2
  • InChiKey: MZONCMATLKIPSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS-144056
  • AIDS144056
  • NSC666079
  • NCI60_022914

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) ICD-1 protein 0.0025 0.0005 0.0003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0209 0.0166 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0047 0.0024 0.0019
Trichomonas vaginalis chromobox protein, putative 0.003 0.0009 0.0543
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0047 0.0024 0.0022
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0047 0.0024 1
Schistosoma mansoni Replicative DNA helicase 0.0276 0.0225 0.0221
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.1228 0.1062 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0209 0.0166 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0047 0.0024 1
Echinococcus granulosus microtubule associated protein 2 0.0493 0.0416 0.0411
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0209 0.0166 1
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0005 0.0276
Chlamydia trachomatis replicative DNA helicase 0.0276 0.0225 0.5
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0276 0.0225 0.5
Brugia malayi chromobox protein homolog 3 0.0028 0.0007 0.0003
Echinococcus multilocularis chromobox protein 1 0.005 0.0026 0.0022
Echinococcus granulosus transcription factor Dp 1 0.0027 0.0007 0.0002
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0047 0.0024 0.0019
Trichomonas vaginalis chromobox protein, putative 0.003 0.0009 0.0543
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0042 0.002 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0005 0.0276
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0209 0.0166 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0209 0.0166 0.5
Schistosoma mansoni hypothetical protein 0.0159 0.0122 0.0118
Schistosoma mansoni aminopeptidase P homologue (M24 family) 1.14 1 1
Echinococcus granulosus chromobox protein 1 0.005 0.0026 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0007 0.0431
Loa Loa (eye worm) heterochromatin protein 1 0.005 0.0026 0.0025
Echinococcus multilocularis bifunctional protein NCOAT 1.14 1 1
Loa Loa (eye worm) twinkle helicase 0.0079 0.0052 0.005
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.002 0.0015
Echinococcus multilocularis chromobox protein 1 0.005 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0316 0.026 0.0259
Schistosoma mansoni microtubule-associated protein tau 0.0493 0.0416 0.0411
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0047 0.0024 0.1656
Onchocerca volvulus 0.0316 0.026 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0209 0.0166 1
Echinococcus granulosus bifunctional protein NCOAT 1.14 1 1
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.0953 0.082 0.7551
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0047 0.0024 0.1207
Schistosoma mansoni jumonji domain containing protein 0.0042 0.002 0.0015
Schistosoma mansoni Hyaluronidase 1.14 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.003 0.0009 0.0277
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0005 0.0276
Mycobacterium leprae Conserved hypothetical protein 0.0361 0.03 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.002 0.0018
Trypanosoma brucei RNA helicase, putative 0.0159 0.0122 1
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0007 0.0431
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0209 0.0166 1
Echinococcus multilocularis Protein lozenge 0.004 0.0018 0.0013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0209 0.0166 1
Brugia malayi hypothetical protein 0.0316 0.026 0.0256
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0028 0.0007 0.0205
Echinococcus granulosus chromobox protein 1 0.005 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0005
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0047 0.0024 0.0019
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0209 0.0166 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0025 0.0005 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.002 0.0015
Loa Loa (eye worm) hyaluronidase 1.14 1 1
Trichomonas vaginalis chromobox protein, putative 0.005 0.0026 0.1588
Loa Loa (eye worm) runx1 0.004 0.0018 0.0016
Toxoplasma gondii NAC domain-containing protein 0.0025 0.0005 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0047 0.0024 1
Trichomonas vaginalis chromobox protein, putative 0.005 0.0026 0.1588
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0276 0.0225 0.6701
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0209 0.0166 1
Treponema pallidum replicative DNA helicase (dnaB) 0.0276 0.0225 1
Schistosoma mansoni chromobox protein 0.005 0.0026 0.0022
Echinococcus multilocularis transcription factor Dp 1 0.0027 0.0007 0.0002
Echinococcus multilocularis lysine specific demethylase 5A 0.0042 0.002 0.0015
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0209 0.0166 1
Echinococcus multilocularis microtubule associated protein 2 0.0493 0.0416 0.0411
Schistosoma mansoni lozenge 0.004 0.0018 0.0013
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0047 0.0024 0.0019
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0276 0.0225 1
Schistosoma mansoni chromobox protein 0.005 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0316 0.026 0.0259
Brugia malayi jmjC domain containing protein 0.0042 0.002 0.0015
Brugia malayi jmjC domain containing protein 0.0042 0.002 0.0015
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.002 0.0015
Brugia malayi Heterochromatin protein 1 0.005 0.0026 0.0022
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0042 0.002 0.0015
Loa Loa (eye worm) hypothetical protein 0.4843 0.4238 0.4237
Plasmodium vivax basic transcription factor 3b, putative 0.0025 0.0005 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.084 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 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 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 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 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 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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