Detailed information for compound 1789411

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.461 | Formula: C27H22O5
  • H donors: 0 H acceptors: 2 LogP: 5.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)COc1ccc2c(c1)oc(=O)c(c2)C(=O)/C=C/c1ccc(cc1)C
  • InChi: 1S/C27H22O5/c1-18-6-8-19(9-7-18)10-13-25(28)24-15-21-11-12-23(16-26(21)32-27(24)29)31-17-20-4-3-5-22(14-20)30-2/h3-16H,17H2,1-2H3/b13-10+
  • InChiKey: MOOBIOBUGNCMBP-JLHYYAGUSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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) hypothetical protein 0.0019 0.0575 0.0575
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.4382 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.005 0.3586 0.2941
Schistosoma mansoni ap endonuclease 0.0022 0.0914 0.0914
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.3897 0.3897
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0116 0.9811 0.9792
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.3897 0.3897
Loa Loa (eye worm) hypothetical protein 0.0116 0.9811 0.9811
Schistosoma mansoni hypothetical protein 0.0019 0.0575 0.0575
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0116 0.9811 0.9792
Schistosoma mansoni ap endonuclease 0.0022 0.0914 0.0914
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.4382 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.3897 0.3897
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.3897 0.3897
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0069 0.5415 1
Toxoplasma gondii exonuclease III APE 0.0022 0.0914 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.3897 0.3897
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.005 0.3586 0.2941
Giardia lamblia Hypothetical protein 0.0069 0.5415 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0575 0.0575
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0914 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0118 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0914 0.0914
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.005 0.3586 0.2941
Loa Loa (eye worm) hypothetical protein 0.0067 0.5226 0.5226
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0914 0.0914
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0914 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0575 0.0575
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0914 0.1687
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0914 0.5
Schistosoma mansoni 6-phosphofructokinase 0.0118 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.3897 0.3897
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0914 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0118 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0118 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0575 0.0575
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0914 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0575 0.0575
Mycobacterium ulcerans hypothetical protein 0.0069 0.5415 1
Loa Loa (eye worm) hypothetical protein 0.004 0.262 0.262
Echinococcus granulosus GPCR family 2 0.0019 0.0575 0.0575
Giardia lamblia Hypothetical protein 0.0069 0.5415 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.3897 0.3897
Schistosoma mansoni hypothetical protein 0.0019 0.0575 0.0575
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.262 0.5978
Schistosoma mansoni hypothetical protein 0.0019 0.0575 0.0575
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0914 0.0914
Onchocerca volvulus 0.0118 1 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0575 0.1312
Echinococcus multilocularis GPCR, family 2 0.0019 0.0575 0.0575
Loa Loa (eye worm) hypothetical protein 0.0059 0.4382 0.4382
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0116 0.9811 0.9792
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.3897 0.8894
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0575 0.0575
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0116 0.9811 0.9792
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0575 0.0575
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0069 0.5415 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0118 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.3897 0.3897
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0118 1 1
Schistosoma mansoni hypothetical protein 0.004 0.262 0.262
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.005 0.3586 0.2941
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0914 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0575 0.1312
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0914 0.2085
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0914 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.4382 0.4382

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 50 uM Cytotoxicity against human MOLT4 cells after 72 hrs by MTT assay ChEMBL. 23973822

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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