Detailed information for compound 113175

Basic information

Technical information
  • TDR Targets ID: 113175
  • Name: 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyr ido[4,3-b]carbazol-2-ium chloride
  • MW: 342.886 | Formula: C19H19ClN2S
  • H donors: 1 H acceptors: 0 LogP: 5.91 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSC[n+]1ccc2c(c1)c(C)c1c(c2C)[nH]c2c1cccc2.[Cl-]
  • InChi: 1S/C19H18N2S.ClH/c1-12-16-10-21(11-22-3)9-8-14(16)13(2)19-18(12)15-6-4-5-7-17(15)20-19;/h4-10H,11H2,1-3H3;1H
  • InChiKey: TXUJZZLDEQPEDT-UHFFFAOYSA-N  

Network

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Synonyms

  • 5,11-dimethyl-2-[(methylthio)methyl]-6H-pyrido[4,3-b]carbazol-2-ium chloride

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 protein kinase, putative 0.0011 0.0017 0.5
Echinococcus multilocularis protein kinase c epsilon type 0.0018 0.0563 0.1352
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Schistosoma mansoni peroxidasin 0.0066 0.4059 1
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Brugia malayi Animal haem peroxidase family protein 0.0066 0.4059 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Brugia malayi Animal haem peroxidase family protein 0.0066 0.4059 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0563 0.1352
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Echinococcus granulosus protein kinase c iota type 0.0018 0.0563 0.1352
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Schistosoma mansoni peroxidasin 0.0066 0.4059 1
Schistosoma mansoni atypical protein kinase C 0.0018 0.0563 0.1352
Loa Loa (eye worm) hypothetical protein 0.0136 0.9227 0.9226
Echinococcus granulosus peroxidasin 0.0066 0.4059 1
Loa Loa (eye worm) animal heme peroxidase 0.0066 0.4059 0.4049
Loa Loa (eye worm) hypothetical protein 0.0136 0.9227 0.9226
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0018 0.0563 0.0547
Loa Loa (eye worm) hypothetical protein 0.0136 0.9227 0.9226
Brugia malayi Animal haem peroxidase family protein 0.0066 0.4059 1
Brugia malayi Animal haem peroxidase family protein 0.0066 0.4059 1
Echinococcus granulosus protein kinase c epsilon type 0.0018 0.0563 0.1352
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Brugia malayi Peroxidasin 0.0066 0.4059 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0018 0.0563 0.1352
Entamoeba histolytica protein kinase, putative 0.0011 0.0017 0.5
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Brugia malayi Blistered cuticle protein 3 0.0066 0.4059 1
Brugia malayi hypothetical protein 0.0066 0.4059 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.9774 0.9773
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Entamoeba histolytica protein kinase, putative 0.0011 0.0017 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0563 0.1352
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Loa Loa (eye worm) animal heme peroxidase 0.0066 0.4059 0.4049
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0066 0.4059 0.4049
Entamoeba histolytica protein kinase, putative 0.0011 0.0017 0.5
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Brugia malayi Animal haem peroxidase family protein 0.0066 0.4059 1
Echinococcus multilocularis protein kinase c iota type 0.0018 0.0563 0.1352
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Onchocerca volvulus 0.0136 0.9227 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Loa Loa (eye worm) hypothetical protein 0.0066 0.4059 0.4049
Loa Loa (eye worm) animal heme peroxidase 0.0066 0.4059 0.4049
Toxoplasma gondii AGC kinase 0.0011 0.0017 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.0011 0.0017 0.5
Echinococcus multilocularis peroxidasin 0.0066 0.4059 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0018 0.0563 0.1352
Brugia malayi protein kinase C II. 0.0018 0.0563 0.1352
Loa Loa (eye worm) animal heme peroxidase 0.0066 0.4059 0.4049
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 1
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0563 0.1352

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 0.726 uM Tested in vitro for cytotoxicity of the compound in SF-268 cell lines ChEMBL. 8035426
GI50 (functional) = 0.726 uM Tested in vitro for cytotoxicity of the compound in SF-268 cell lines ChEMBL. 8035426
GI50 (functional) = 1.99 uM Tested in vitro for cytotoxicity of the compound in MALME-3M ChEMBL. 8035426
GI50 (functional) = 1.99 uM Tested in vitro for cytotoxicity of the compound in MALME-3M ChEMBL. 8035426
GI50 (functional) = 2.48 uM Tested in vitro for cytotoxicity of the compound in COLO 205 cell lines ChEMBL. 8035426
GI50 (functional) = 2.48 uM Tested in vitro for cytotoxicity of the compound in COLO 205 cell lines ChEMBL. 8035426
GI50 (functional) = 2.67 uM Tested in vitro for cytotoxicity of the compound in DMS114 cell lines ChEMBL. 8035426
GI50 (functional) = 2.67 uM Tested in vitro for cytotoxicity of the compound in DMS114 cell lines ChEMBL. 8035426
GI50 (functional) = 5.02 uM Tested in vitro for cytotoxicity of the compound in CCRF-CEM cell lines ChEMBL. 8035426
GI50 (functional) = 5.02 uM Tested in vitro for cytotoxicity of the compound in CCRF-CEM cell lines ChEMBL. 8035426
GI50 (functional) = 5.23 uM Tested in vitro for cytotoxicity of the compound in A549/ATCC cell lines ChEMBL. 8035426
GI50 (functional) = 5.23 uM Tested in vitro for cytotoxicity of the compound in A549/ATCC cell lines ChEMBL. 8035426
GI50 (functional) = 18.2 uM Tested in vitro for cytotoxicity of the compound in IGROV1 cell lines ChEMBL. 8035426
GI50 (functional) = 18.2 uM Tested in vitro for cytotoxicity of the compound in IGROV1 cell lines ChEMBL. 8035426
GI50 (functional) = 19.6 uM Tested in vitro for cytotoxicity of the compound in CAKI-1 cell lines ChEMBL. 8035426
GI50 (functional) = 19.6 uM Tested in vitro for cytotoxicity of the compound in CAKI-1 cell lines ChEMBL. 8035426

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

1 literature reference was collected for this gene.

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