Detailed information for compound 1070145

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.451 | Formula: C25H22N2O7
  • H donors: 1 H acceptors: 5 LogP: 3.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)[C@H]1C(=C(C(=O)N1c1noc(c1)C)O)C(=O)c1ccc(c(c1)C)OC
  • InChi: 1S/C25H22N2O7/c1-13-11-17(9-10-18(13)32-3)22(28)20-21(15-5-7-16(8-6-15)25(31)33-4)27(24(30)23(20)29)19-12-14(2)34-26-19/h5-12,21,29H,1-4H3/t21-/m0/s1
  • InChiKey: SDYQMSMUAJSFDW-NRFANRHFSA-N  

Network

Hover on a compound node to display the structore

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
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0518 0.9249 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0112 0.1687 0.1656
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0777 0.0415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0629 0.3729
Schistosoma mansoni single-minded 0.0059 0.0694 0.4116
Loa Loa (eye worm) hypothetical protein 0.0054 0.0602 0.1841
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0296 0.026
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.041 0.0374
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0629 0.0594
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0629 0.1923
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0094 0.1355 0.3981
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0037 0.0219
Trypanosoma cruzi DNA topoisomerase II, putative 0.0094 0.1355 0.3981
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0629 0.3729
Trichomonas vaginalis DNA topoisomerase II, putative 0.0112 0.1687 0.5
Plasmodium falciparum DNA gyrase subunit B 0.0249 0.4241 0.4539
Mycobacterium ulcerans DNA gyrase subunit A 0.0518 0.9249 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0094 0.1355 0.3981
Plasmodium falciparum DNA topoisomerase 2 0.0112 0.1687 0.1754
Schistosoma mansoni bromodomain containing protein 0.0066 0.0826 0.49
Giardia lamblia DNA topoisomerase II 0.0104 0.1541 0.5
Brugia malayi bHLH-PAS transcription factor 0.0043 0.041 0.1038
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0112 0.1687 1
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0518 0.9249 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0296 0.026
Brugia malayi hypothetical protein 0.0197 0.3271 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0777 0.0743
Brugia malayi Probable DNA topoisomerase II 0.0112 0.1687 0.5038
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0777 0.2179
Plasmodium vivax DNA topoisomerase II, putative 0.0112 0.1687 0.1754
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0112 0.1687 0.5038
Echinococcus granulosus single minded 2 0.0043 0.041 0.0374
Loa Loa (eye worm) hypothetical protein 0.0197 0.3271 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0629 0.0594
Loa Loa (eye worm) hypothetical protein 0.0026 0.0078 0.024
Loa Loa (eye worm) hypothetical protein 0.0074 0.0971 0.2968
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0629 0.1724
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0198 0.3284 1
Leishmania major mitochondrial DNA topoisomerase II 0.0198 0.3284 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.039 0.1191
Toxoplasma gondii DNA topoisomerase 2, putative 0.0112 0.1687 0.1754
Chlamydia trachomatis DNA gyrase subunit B 0.0163 0.2643 0.2834
Entamoeba histolytica DNA topoisomerase II, putative 0.0112 0.1687 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0777 0.4606
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.2986 0.9131
Plasmodium falciparum DNA gyrase subunit A 0.0518 0.9249 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0427 0.1304
Schistosoma mansoni DNA topoisomerase II 0.0112 0.1687 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0249 0.4241 0.4334
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0247 0.42 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0757 0.0723
Chlamydia trachomatis DNA gyrase subunit A 0.0518 0.9249 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0518 0.9249 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0602 0.1841
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0777 0.0415
Brugia malayi PHD-finger family protein 0.0026 0.0083 0.0014
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0777 0.0415
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0777 0.4606
Brugia malayi hypoxia-induced factor 1 0.0182 0.2986 0.9109
Loa Loa (eye worm) hypothetical protein 0.004 0.0344 0.1051
Leishmania major DNA topoisomerase ii 0.0094 0.1355 0.3981
Plasmodium vivax DNA gyrase subunit B, putative 0.0249 0.4241 0.4539
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0198 0.3284 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0112 0.1687 0.1656
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0694 0.4116
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0629 0.3729
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0777 0.0762
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0629 0.0594
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0629 0.0594
Chlamydia trachomatis DNA gyrase subunit A 0.0054 0.0602 0.062
Plasmodium vivax DNA gyrase subunit A, putative 0.0518 0.9249 1
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0249 0.4241 0.4089
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0112 0.1687 0.5038
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0518 0.9249 1
Trypanosoma brucei DNA topoisomerase ii 0.0198 0.3284 1
Chlamydia trachomatis DNA gyrase subunit B 0.0249 0.4241 0.4568
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0112 0.1687 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0094 0.1355 0.3981
Loa Loa (eye worm) TOPoisomerase family member 0.0112 0.1687 0.5157
Brugia malayi Bromodomain containing protein 0.004 0.0342 0.0827
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0144 0.2282 0.2403
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0777 0.0743
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0757 0.0723
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.1079
Brugia malayi PAS domain containing protein 0.0059 0.0694 0.1929
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.1079
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0112 0.1687 1
Brugia malayi Bromodomain containing protein 0.0078 0.1054 0.3055

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.