Detailed information for compound 59352

Basic information

Technical information
  • TDR Targets ID: 59352
  • Name: 6-methyl-1,2-dihydrobenzo[j]aceanthrylene
  • MW: 268.352 | Formula: C21H16
  • H donors: 0 H acceptors: 0 LogP: 6.33 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1c2c(ccc3c2cccc3)c2c3c1cccc3CC2
  • InChi: 1S/C21H16/c1-13-16-8-4-6-15-10-12-19(21(15)16)18-11-9-14-5-2-3-7-17(14)20(13)18/h2-9,11H,10,12H2,1H3
  • InChiKey: PCOGMMKGBNBIQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methylcholanthrene
  • 29873-25-4
  • Benz(j)aceanthrylene, 1,2-dihydro-6-methyl-
  • 6-MCA

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 cysteine proteinase, putative 0.0415 1 1
Onchocerca volvulus 0.0415 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0278 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0415 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0415 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Loa Loa (eye worm) hypothetical protein 0.0415 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0415 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0278 0.3182 0.3182
Brugia malayi Cathepsin L-like precursor 0.0278 0.3182 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Loa Loa (eye worm) fibroinase 0.0415 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0415 1 1
Brugia malayi cathepsin L-like precursor 0.0278 0.3182 0.3182
Schistosoma mansoni cathepsin F (C01 family) 0.0415 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0415 1 1
Onchocerca volvulus Cathepsin L homolog 0.0415 1 1
Brugia malayi Cathepsin L-like precursor 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0415 1 1
Loa Loa (eye worm) ctsf protein 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Onchocerca volvulus 0.0415 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0278 0.3182 0.3182
Echinococcus granulosus cathepsin L cysteine proteinase 0.0415 1 1
Echinococcus multilocularis cysteine protease 0.0415 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0415 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0415 1 1
Leishmania major cathepsin L-like protease 0.0415 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0415 1 1
Leishmania major cathepsin L-like protease 0.0415 1 0.5
Echinococcus granulosus cathepsin l1 0.0415 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0278 0.3182 0.3182
Entamoeba histolytica cysteine protease, putative 0.0415 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0415 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0278 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0415 1 1
Onchocerca volvulus 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0415 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0278 0.3182 0.3182
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0415 1 1
Brugia malayi Cathepsin L-like precursor 0.0278 0.3182 0.3182
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0415 1 1
Brugia malayi Cathepsin L-like precursor 0.0415 1 1
Toxoplasma gondii cathepsin CPL 0.0415 1 0.5
Onchocerca volvulus Cathepsin L homolog 0.0415 1 1
Brugia malayi Cathepsin L-like precursor 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Onchocerca volvulus 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0415 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Leishmania major cysteine peptidase A (CPA) 0.0415 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0415 1 1
Leishmania major cathepsin L-like protease 0.0415 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Brugia malayi Cathepsin L-like precursor 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0415 1 1
Onchocerca volvulus 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Leishmania major cathepsin L-like protease 0.0415 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Loa Loa (eye worm) cysteine protease 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0415 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0415 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Echinococcus granulosus cathepsin l1 0.0278 0.3182 0.3182
Leishmania major cathepsin L-like protease 0.0415 1 0.5
Echinococcus multilocularis cysteine protease 0.0415 1 1
Leishmania major cathepsin L-like protease 0.0415 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Plasmodium vivax vivapain-2 0.0415 1 1
Onchocerca volvulus Cathepsin F homolog 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0415 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0415 1 1
Onchocerca volvulus 0.0415 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0415 1 1
Onchocerca volvulus 0.0415 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0415 1 1
Plasmodium vivax vivapain-2 0.0415 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0415 1 1
Brugia malayi Cathepsin L-like precursor 0.0415 1 1
Leishmania major cathepsin L-like protease 0.0415 1 0.5
Leishmania major cathepsin L-like protease 0.0415 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 14.67 % Tumor initiating activity measured as number of papillomas on mouse skin at a dose of 50 nmol ChEMBL. 3121856
Activity (functional) = 14.67 % Tumor initiating activity measured as number of papillomas on mouse skin at a dose of 50 nmol ChEMBL. 3121856
Activity (functional) = 100 % Tumor initiating activity measured as percentage of mice with papillomas at a dose of 50 nmol ChEMBL. 3121856
Activity (functional) = 100 % Tumor initiating activity measured as percentage of mice with papillomas at a dose of 50 nmol ChEMBL. 3121856

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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