Detailed information for compound 1637881

Basic information

Technical information
  • TDR Targets ID: 1637881
  • Name: 7-(4-amino-5-iodo-6-methyloxan-2-yl)oxy-6,9,1 1-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8, 10-dihydro-7H-tetracene-5,12-dione
  • MW: 653.416 | Formula: C27H28INO10
  • H donors: 5 H acceptors: 7 LogP: 2.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)I)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC
  • InChi: 1S/C27H28INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3
  • InChiKey: PDQGEKGUTOTUNV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-(4-amino-5-iodo-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
  • 7-[(4-amino-5-iodo-6-methyl-2-tetrahydropyranyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
  • 7-(4-amino-5-iodo-6-methyl-tetrahydropyran-2-yl)oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone
  • 7-(4-amino-5-iodo-6-methyl-oxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
  • NCI60_003570

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 myelin transcription factor 1 myt1 0.0064 0.0042 0.0048
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0085 0.0159 0.0181
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.0014 0.0016
Schistosoma mansoni jumonji domain containing protein 0.0069 0.0071 0.0081
Echinococcus granulosus frizzled 5 0.0085 0.0159 0.0159
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1672 0.8799 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1672 0.8799 0.5
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0085 0.0159 0.0163
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0064 0.0042 0.0048
Echinococcus multilocularis frizzled 0.0085 0.0159 0.0159
Echinococcus granulosus histone acetyltransferase MYST2 0.0064 0.0042 0.0042
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1672 0.8799 0.5
Echinococcus granulosus frizzled 0.0085 0.0159 0.0159
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.1672 0.8799 1
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1507 0.7899 0.7899
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0064 0.0042 0.0042
Echinococcus multilocularis frizzled 5 0.0085 0.0159 0.0159
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1672 0.8799 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0069 0.0071 0.0071
Echinococcus multilocularis frizzled 10 0.0085 0.0159 0.0159
Brugia malayi jmjC domain containing protein 0.0069 0.0071 0.0081
Schistosoma mansoni hypothetical protein 0.0341 0.155 0.1761
Echinococcus granulosus frizzled 4 0.0085 0.0159 0.0159
Echinococcus granulosus frizzled 0.0085 0.0159 0.0159
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1672 0.8799 0.5
Echinococcus granulosus frizzled 0.0085 0.0159 0.0159
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0085 0.0159 0.0181
Echinococcus multilocularis histone acetyltransferase MYST2 0.0064 0.0042 0.0042
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0085 0.0159 0.0163
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.0071 0.0081
Echinococcus multilocularis lysine specific demethylase 5A 0.0069 0.0071 0.0071
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0221 0.0897 0.0897
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0221 0.0897 0.0897
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.0014 0.0016
Loa Loa (eye worm) MBCTL1 0.0064 0.0042 0.0043
Echinococcus multilocularis frizzled 0.0085 0.0159 0.0159
Schistosoma mansoni frizzled-like receptor 0.0085 0.0159 0.0181
Echinococcus multilocularis smoothened 0.1892 1 1
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.1672 0.8799 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.0071 0.0073
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0165 0.0595 0.0676
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.0071 0.0081
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1507 0.7899 0.7899
Schistosoma mansoni frizzled-like receptor 0.0085 0.0159 0.0181
Schistosoma mansoni frizzled 0.0085 0.0159 0.0181
Brugia malayi jmjC domain containing protein 0.0069 0.0071 0.0081
Loa Loa (eye worm) hypothetical protein 0.1672 0.8799 0.8991
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.1672 0.8799 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0064 0.0042 0.0043
Echinococcus multilocularis frizzled 4 0.0085 0.0159 0.0159
Echinococcus granulosus lysine specific demethylase 5A 0.0069 0.0071 0.0071
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1672 0.8799 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0069 0.0071 0.0071
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1672 0.8799 0.5
Echinococcus granulosus lysosomal protective protein 0.1672 0.8799 0.8799
Echinococcus multilocularis lysosomal protective protein 0.1672 0.8799 0.8799
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0064 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.1853 0.9787 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.1672 0.8799 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.0014 0.0014
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.1672 0.8799 1

Activities

No activities found for this compound.

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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