Detailed information for compound 552819

Basic information

Technical information
  • TDR Targets ID: 552819
  • Name: methyl 2-ethyl-2,4,5,7,12-pentahydroxy-6,11-d ioxo-3,4-dihydro-1H-tetracene-1-carboxylate
  • MW: 428.389 | Formula: C22H20O9
  • H donors: 5 H acceptors: 8 LogP: 2.65 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1c2c(C(CC1(O)CC)O)c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2
  • InChi: 1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3
  • InChiKey: PYFOXRACBORDCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
  • 2-ethyl-2,4,5,7,12-pentahydroxy-6,11-diketo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
  • rhodomycinone
  • .epsilon.-Rhodomycinone
  • RHODOMYCINONE, E-
  • e-Rhodomycinone
  • NCI60_001641
  • eta-Rhodomycinone
  • NSC196524

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) AGC/PKC/ETA protein kinase 0.0645 0.7675 0.7658
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0288 0.207 0.2011
Trichomonas vaginalis AGC family protein kinase 0.0176 0.031 1
Loa Loa (eye worm) hypothetical protein 0.0428 0.4266 0.4223
Schistosoma mansoni serine/threonine kinase 0.0166 0.0164 0.0183
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0432 0.4338 0.4296
Schistosoma mansoni microtubule-associated protein tau 0.073 0.8999 1
Loa Loa (eye worm) hypothetical protein 0.0627 0.7394 0.7375
Schistosoma mansoni protein kinase C 0.0165 0.0151 0.0168
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0166 0.0164 0.0183
Echinococcus granulosus RNA directed DNA polymerase 0.0269 0.1774 0.1971
Brugia malayi protein kinase C3,putative 0.0343 0.2938 0.3828
Schistosoma mansoni serine/threonine protein kinase 0.0166 0.0164 0.0183
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0166 0.0164 0.0183
Loa Loa (eye worm) hypothetical protein 0.0265 0.1717 0.1656
Brugia malayi Protein kinase domain containing protein 0.0176 0.031 0.0405
Echinococcus multilocularis myotubularin protein 13 0.016 0.0074 0.0082
Echinococcus multilocularis Protein kinase C, brain isozyme 0.06 0.6972 0.7748
Echinococcus multilocularis RNA directed DNA polymerase 0.0269 0.1774 0.1971
Echinococcus multilocularis microtubule associated protein 2 0.073 0.8999 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0328 0.2695 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0166 0.0164 0.0183
Onchocerca volvulus 0.0437 0.4412 0.5883
Brugia malayi C1-like domain containing protein 0.0432 0.4338 0.5653
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0166 0.0164 0.0091
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0166 0.0164 0.0091
Entamoeba histolytica protein kinase, putative 0.0176 0.031 0.0578
Onchocerca volvulus 0.0428 0.4266 0.5681
Loa Loa (eye worm) hypothetical protein 0.0627 0.7394 0.7375
Trichomonas vaginalis AGC family protein kinase 0.0166 0.0164 0.3308
Schistosoma mansoni atypical protein kinase C 0.0518 0.5687 0.632
Echinococcus granulosus protein kinase c epsilon type 0.0645 0.7675 0.8529
Echinococcus granulosus unc 13 munc13 0.0165 0.0151 0.0168
Schistosoma mansoni protein kinase C mu 0.0432 0.4338 0.4821
Trichomonas vaginalis AGC family protein kinase 0.0166 0.0164 0.3308
Loa Loa (eye worm) hypothetical protein 0.0277 0.1897 0.1837
Trichomonas vaginalis AGC family protein kinase 0.0176 0.031 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0166 0.0164 0.0091
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0165 0.0151 0.0168
Brugia malayi Protein kinase domain containing protein 0.0166 0.0164 0.0214
Trypanosoma brucei rac serine-threonine kinase, putative 0.0176 0.031 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0166 0.0164 0.0183
Echinococcus granulosus microtubule associated protein 2 0.073 0.8999 1
Echinococcus granulosus protein kinase C gamma type 0.0449 0.4603 0.5115
Loa Loa (eye worm) hypothetical protein 0.0437 0.4412 0.4371
Echinococcus granulosus protein kinase c iota type 0.0505 0.5471 0.608
Loa Loa (eye worm) hypothetical protein 0.0627 0.7394 0.7375
Loa Loa (eye worm) hypothetical protein 0.0269 0.1774 0.1713
Schistosoma mansoni vav2 0.016 0.0074 0.0082
Brugia malayi p70 ribosomal S6 kinase beta 0.0166 0.0164 0.0214
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0269 0.1774 0.1971
Schistosoma mansoni serine/threonine protein kinase 0.06 0.6972 0.7748
Trichomonas vaginalis AGC family protein kinase 0.0176 0.031 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0166 0.0164 0.0091
Loa Loa (eye worm) hypothetical protein 0.0277 0.1897 0.1837
Schistosoma mansoni serine/threonine protein kinase 0.0645 0.7675 0.8529
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0166 0.0164 0.0183
Echinococcus multilocularis serine:threonine protein kinase N2 0.048 0.5082 0.5648
Loa Loa (eye worm) hypothetical protein 0.042 0.4143 0.4099
Echinococcus granulosus NDR protein kinase 0.0166 0.0164 0.0183
Brugia malayi Protein kinase c protein 2 0.0439 0.4439 0.5784
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0165 0.0151 0.0168
Trichomonas vaginalis AGC family protein kinase 0.0176 0.031 1
Echinococcus multilocularis protein kinase c iota type 0.0505 0.5471 0.608
Loa Loa (eye worm) AGC/PKN protein kinase 0.0166 0.0164 0.0091
Schistosoma mansoni unc-13 (munc13) 0.0165 0.0151 0.0168
Echinococcus granulosus Protein kinase C brain isozyme 0.06 0.6972 0.7748
Trichomonas vaginalis AGC family protein kinase 0.0176 0.031 1
Echinococcus multilocularis protein kinase c epsilon type 0.0645 0.7675 0.8529
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0281 0.1969 0.1909
Echinococcus multilocularis serine:threonine protein kinase 38 0.0166 0.0164 0.0183
Echinococcus multilocularis unc 13 (munc13) 0.0165 0.0151 0.0168
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0166 0.0164 0.0183
Loa Loa (eye worm) AGC/AKT protein kinase 0.0176 0.031 0.0238
Echinococcus granulosus serine:threonine protein kinase N2 0.0318 0.2549 0.2832
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0166 0.0164 0.0183
Loa Loa (eye worm) hypothetical protein 0.0165 0.0151 0.0078
Echinococcus granulosus serine:threonine protein kinase N2 0.0166 0.0164 0.0183
Echinococcus multilocularis serine threonine protein kinase 0.0449 0.4603 0.5115
Loa Loa (eye worm) hypothetical protein 0.0778 0.9763 0.9762
Toxoplasma gondii AGC kinase 0.0166 0.0164 0.5
Brugia malayi protein kinase C II. 0.0645 0.7675 1
Echinococcus granulosus myotubularin protein 13 0.016 0.0074 0.0082
Trichomonas vaginalis AGC family protein kinase 0.0176 0.031 1
Brugia malayi Protein kinase domain containing protein 0.0166 0.0164 0.0214
Trichomonas vaginalis AGC family protein kinase 0.0166 0.0164 0.3308
Schistosoma mansoni serine/threonine protein kinase 0.0166 0.0164 0.0183
Brugia malayi Pleckstrin Homology Domain 0.016 0.0074 0.0096
Entamoeba histolytica protein kinase, putative 0.0176 0.031 0.0578
Schistosoma mansoni serine/threonine protein kinase 0.0166 0.0164 0.0183
Trichomonas vaginalis AGC family protein kinase 0.0176 0.031 1
Brugia malayi Hr1 repeat family protein 0.0166 0.0164 0.0214
Schistosoma mansoni serine/threonine protein kinase 0.06 0.6972 0.7748
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0166 0.0164 0.0183
Onchocerca volvulus 0.0277 0.1897 0.241
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0432 0.4338 0.5653
Onchocerca volvulus 0.0627 0.7394 1
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0357 0.3153 0.3102
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0337 0.2836 0.3695
Schistosoma mansoni unc-13 (munc13) 0.0165 0.0151 0.0168
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0166 0.0164 0.0091
Trichomonas vaginalis AGC family protein kinase 0.0176 0.031 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6.1 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) -5.736 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) -5.713 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
GI50 (functional) -5.535 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) -5.523 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) -5.497 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) -5.483 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) -5.414 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) -5.271 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) -5.266 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) -5.031 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

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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