Detailed information for compound 75917

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.48 | Formula: C26H24N2O4
  • H donors: 2 H acceptors: 3 LogP: 4.16 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1Cn1ccc2c1cc(cc2)NC(=O)CCc1ccccc1)C(=O)O
  • InChi: 1S/C26H24N2O4/c1-32-24-15-20(26(30)31)8-9-21(24)17-28-14-13-19-10-11-22(16-23(19)28)27-25(29)12-7-18-5-3-2-4-6-18/h2-6,8-11,13-16H,7,12,17H2,1H3,(H,27,29)(H,30,31)
  • InChiKey: SGPMKEVHJYJAIK-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
Treponema pallidum fructose-bisphosphate aldolase 0.0301 0.4358 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0118 0.5
Brugia malayi jmjC domain containing protein 0.0041 0.0117 0.0841
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0112 0.1268 0.2002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4358 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.013 0.1563 0.2468
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0118 0.5
Brugia malayi mbt repeat family protein 0.0105 0.1157 0.8298
Echinococcus multilocularis histone acetyltransferase MYST2 0.012 0.1394 0.2201
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0118 0.0187
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0117 0.0117
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0594 0.4258
Echinococcus multilocularis polycomb protein SCMH1 0.0105 0.1157 0.1826
Schistosoma mansoni ap endonuclease 0.0041 0.0118 0.0118
Schistosoma mansoni myelin transcription factor 1 myt1 0.012 0.1394 0.1394
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4358 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0286 0.4105 0.648
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.012 0.1394 0.2201
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0147 0.1844 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0117 0.0185
Loa Loa (eye worm) mbt repeat family protein 0.0105 0.1157 0.8298
Loa Loa (eye worm) hypothetical protein 0.012 0.1394 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0118 0.0272
Echinococcus granulosus SAM and MBT domain containing protein 0.0105 0.1157 0.1826
Echinococcus granulosus jumonji domain containing protein 0.0048 0.0218 0.0345
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0105 0.1157 0.1157
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0117 0.0185
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0112 0.1268 0.2002
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0301 0.4358 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0118 0.0187
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0118 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.012 0.1394 1
Brugia malayi mbt repeat family protein 0.0105 0.1157 0.8298
Treponema pallidum methyl-accepting chemotaxis protein (mcp2-1) 0.0264 0.376 0.859
Giardia lamblia Fructose-bisphosphate aldolase 0.0301 0.4358 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0381 0.2735
Schistosoma mansoni serine-rich repeat protein 0.0067 0.0538 0.0538
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4358 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0118 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0063 0.0468 0.0468
Brugia malayi jmjC domain containing protein 0.0112 0.1268 0.9098
Loa Loa (eye worm) MBCTL1 0.012 0.1394 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4358 1
Schistosoma mansoni sex comb on midleg homolog 0.0105 0.1157 0.1157
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4358 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0422 0.6334 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0125 0.1476 0.1476
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0105 0.1157 1
Schistosoma mansoni hypothetical protein 0.0067 0.0538 0.0538
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4358 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0105 0.1157 0.1826
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0117 0.0841
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0118 0.085
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0118 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0422 0.6334 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0117 0.0117
Schistosoma mansoni jumonji domain containing protein 0.0089 0.0893 0.0893
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0118 0.085
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4358 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0398 0.2857
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0301 0.4358 1
Onchocerca volvulus 0.0105 0.1157 1
Toxoplasma gondii exonuclease III APE 0.0041 0.0118 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.012 0.1394 0.2201
Loa Loa (eye worm) hypothetical protein 0.0105 0.1157 0.8298
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0118 1
Schistosoma mansoni sex comb on midleg homolog 0.0105 0.1157 0.1157
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4358 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.013 0.1563 0.2468
Echinococcus granulosus polycomb protein SCMH1 0.0105 0.1157 0.1826
Schistosoma mansoni ap endonuclease 0.0041 0.0118 0.0118
Echinococcus granulosus histone acetyltransferase MYST2 0.012 0.1394 0.2201
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0286 0.4105 0.648
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0118 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0048 0.0218 0.0345
Brugia malayi Cache domain containing protein 0.0057 0.0381 0.2735
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0147 0.1844 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0147 0.1844 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 62 % Inhibition of the LTE4- induced contraction of guinea pig tracheal spirals at 10 uM. ChEMBL. 2342071
Inhibition (functional) = 62 % Inhibition of the LTE4- induced contraction of guinea pig tracheal spirals at 10 uM. ChEMBL. 2342071

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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