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

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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