Detailed information for compound 1652061

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 506.545 | Formula: C32H26O6
  • H donors: 2 H acceptors: 6 LogP: 3.57 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1C(=C2C(=CC(=O)c3c2cc(O)c(c3)C)C1(C)C)C1=C2c3cc(O)c(cc3C(=O)C=C2C(C1=O)(C)C)C
  • InChi: 1S/C32H26O6/c1-13-7-15-17(9-21(13)33)25-19(11-23(15)35)31(3,4)29(37)27(25)28-26-18-10-22(34)14(2)8-16(18)24(36)12-20(26)32(5,6)30(28)38/h7-12,33-34H,1-6H3
  • InChiKey: XEKMHELKONVJIX-UHFFFAOYSA-N  

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
Trypanosoma brucei DNA topoisomerase ii 0.0147 0.5616 1
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0018 0.0354 0.1735
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.5933 1
Onchocerca volvulus Tyrosine kinase homolog 0.0145 0.5516 1
Echinococcus granulosus twitchin 0.0012 0.0099 0.0487
Onchocerca volvulus 0.0141 0.5382 0.9739
Schistosoma mansoni cell adhesion molecule 0.0013 0.0127 0.0622
Echinococcus multilocularis rho GTPase activating protein 20 0.0018 0.0354 0.1735
Brugia malayi DNA topoisomerase II, alpha isozyme 0.006 0.2039 0.3436
Echinococcus granulosus roundabout 2 0.0015 0.0226 0.1109
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0155 0.5933 1
Plasmodium falciparum DNA gyrase subunit B 0.0255 1 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0255 1 1
Echinococcus multilocularis neuroglian 0.0012 0.0099 0.0487
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0255 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0013 0.0127 0.0622
Schistosoma mansoni nephrin 0.0012 0.0099 0.0487
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.006 0.2039 0.3436
Trypanosoma cruzi DNA topoisomerase II, putative 0.0041 0.1296 0.1791
Mycobacterium ulcerans DNA gyrase subunit B 0.0255 1 1
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0255 1 0.5
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0041 0.1296 0.1791
Loa Loa (eye worm) hypothetical protein 0.0015 0.0226 0.0381
Loa Loa (eye worm) hypothetical protein 0.0041 0.1296 0.2185
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.006 0.2039 1
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0018 0.0354 0.1735
Onchocerca volvulus DNA topoisomerase 2 homolog 0.006 0.2039 0.3264
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.006 0.2039 0.3264
Trichomonas vaginalis DNA topoisomerase II, putative 0.006 0.2039 1
Loa Loa (eye worm) DNA topoisomerase III 0.0018 0.0354 0.0596
Trypanosoma cruzi DNA topoisomerase II, putative 0.0041 0.1296 0.1791
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0255 1 1
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0018 0.0354 0.0596
Entamoeba histolytica DNA topoisomerase II, putative 0.006 0.2039 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0147 0.5616 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0018 0.0354 0.1735
Brugia malayi DNA topoisomerase III 0.0018 0.0354 0.0596
Leishmania major DNA topoisomerase ii 0.0041 0.1296 0.1791
Echinococcus granulosus DNA topoisomerase 2 alpha 0.006 0.2039 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0147 0.5616 1
Brugia malayi Probable DNA topoisomerase II 0.006 0.2039 0.3436
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0018 0.0354 0.1735
Loa Loa (eye worm) TOPoisomerase family member 0.006 0.2039 0.3436
Loa Loa (eye worm) hypothetical protein 0.0013 0.0127 0.0214
Onchocerca volvulus DNA topoisomerase 2 homolog 0.006 0.2039 0.3264
Loa Loa (eye worm) hypothetical protein 0.0041 0.1296 0.2185
Plasmodium vivax DNA topoisomerase II, putative 0.006 0.2039 0.1747
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0018 0.0354 0.1735
Giardia lamblia DNA topoisomerase II 0.0052 0.1713 1
Leishmania major mitochondrial DNA topoisomerase II 0.0147 0.5616 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0226 0.0381
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0041 0.1296 0.1791
Echinococcus granulosus neuroglian 0.0012 0.0099 0.0487
Brugia malayi GRF zinc finger family protein 0.0018 0.0354 0.0596
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0088 0.3188 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.006 0.2039 0.3202
Brugia malayi DNA topoisomerase III beta-1 0.0018 0.0354 0.0596
Schistosoma mansoni DNA topoisomerase II 0.006 0.2039 1
Chlamydia trachomatis DNA gyrase subunit B 0.0167 0.6423 0.6292
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0147 0.5616 1
Plasmodium falciparum DNA topoisomerase 2 0.006 0.2039 0.1747
Echinococcus multilocularis roundabout 2 0.0015 0.0226 0.1109

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 40 uM Cytotoxicity against human HL60 cells by MTT assay ChEMBL. 22548480

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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