Detailed information for compound 1752989

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 528.64 | Formula: C26H28N2O6S2
  • H donors: 0 H acceptors: 5 LogP: 4.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)CC1(C)N(c2c(N1S(=O)(=O)c1ccc(cc1)C)cccc2)S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C26H28N2O6S2/c1-5-34-25(29)18-26(4)27(35(30,31)21-14-10-19(2)11-15-21)23-8-6-7-9-24(23)28(26)36(32,33)22-16-12-20(3)13-17-22/h6-17H,5,18H2,1-4H3
  • InChiKey: MIFFUJPHJJGVLY-UHFFFAOYSA-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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Brugia malayi jmjC domain containing protein 0.0093 0.0479 0.0479
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0136 0.0188
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0065 0.0089
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0258 0.0258
Echinococcus granulosus cyclin dependent kinase 19 0.1154 0.7238 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.0774 1
Onchocerca volvulus 0.0232 0.1361 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0069 1
Echinococcus multilocularis cyclin 0.0788 0.4905 0.6776
Loa Loa (eye worm) cyclin C 0.1587 1 1
Brugia malayi Protein kinase domain containing protein 0.1154 0.7238 0.7238
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0479 0.0661
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.1707 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0069 0.0069
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0095 0.0095
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0103 0.0103
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0194 0.0194
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.1707 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.1181 0.1181
Plasmodium falciparum phd finger protein, putative 0.0029 0.0065 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0788 0.4905 0.6776
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0069 0.0069
Treponema pallidum fructose-bisphosphate aldolase 0.0286 0.1707 1
Brugia malayi Pre-SET motif family protein 0.0204 0.1181 0.1181
Schistosoma mansoni hypothetical protein 0.0029 0.0065 0.0065
Echinococcus granulosus peregrin 0.0029 0.0065 0.0089
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0065 0.0065
Schistosoma mansoni serine/threonine protein kinase 0.1154 0.7238 0.7238
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.1707 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0069 0.0069
Echinococcus multilocularis peregrin 0.0029 0.0065 0.0089
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0194 0.0194
Echinococcus granulosus jumonji domain containing protein 0.004 0.0136 0.0188
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0065 0.9368
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.1707 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0103 0.0103
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0194 0.0194
Entamoeba histolytica cyclin C, putative 0.0799 0.4978 1
Brugia malayi jmjC domain containing protein 0.0035 0.0103 0.0103
Onchocerca volvulus 0.0029 0.0069 0.0034
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0103 0.0142
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.1707 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.1707 1
Echinococcus multilocularis cyclin dependent kinase 19 0.1154 0.7238 1
Echinococcus granulosus cyclin 0.0788 0.4905 0.6776
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.1707 0.3428
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0788 0.4905 0.6776
Loa Loa (eye worm) hypothetical protein 0.0029 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0049 0.0194 0.0194
Plasmodium vivax SET domain protein, putative 0.0029 0.0069 1
Loa Loa (eye worm) gastrulation defective protein 1 0.115 0.7212 0.7212
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0069 0.0069
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0065 0.9368
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.1707 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.0774 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0069 0.0095
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.1707 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.1707 0.3428
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0065 0.0065
Giardia lamblia PHD finger protein 15 0.0029 0.0065 0.0378
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0065 0.0089
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0069 0.0095
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0103 0.0103
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0069 0.0069
Brugia malayi Cyclin, N-terminal domain containing protein 0.0788 0.4905 0.4905
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0065 0.9368
Brugia malayi PHD-finger family protein 0.0029 0.0065 0.0065
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0356 0.0356
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0062 0.0086
Loa Loa (eye worm) hypothetical protein 0.0033 0.0095 0.0095
Giardia lamblia Fructose-bisphosphate aldolase 0.0286 0.1707 1
Schistosoma mansoni g1/s-specific cyclin C 0.1587 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0095 0.0095
Loa Loa (eye worm) CMGC/CDK/CDK8 protein kinase 0.1154 0.7238 0.7238
Loa Loa (eye worm) hypothetical protein 0.0029 0.0069 0.0069
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.0774 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0479 0.0661
Brugia malayi Bromodomain containing protein 0.0029 0.0065 0.0065
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0103 0.0142
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0069 0.0095
Loa Loa (eye worm) hypothetical protein 0.0049 0.0195 0.0195
Loa Loa (eye worm) cyclin domain-containing protein 0.0788 0.4905 0.4905
Trichomonas vaginalis set domain proteins, putative 0.0232 0.1361 0.7974

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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