Detailed information for compound 1151447

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 567.592 | Formula: C22H25N5O9S2
  • H donors: 2 H acceptors: 10 LogP: 1.71 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)C(C(=O)OC)(Cc1ccc(cc1)NS(=O)(=O)O)CCCS(=O)(=O)c1nnnn1c1ccccc1
  • InChi: 1S/C22H25N5O9S2/c1-35-19(28)22(20(29)36-2,15-16-9-11-17(12-10-16)24-38(32,33)34)13-6-14-37(30,31)21-23-25-26-27(21)18-7-4-3-5-8-18/h3-5,7-12,24H,6,13-15H2,1-2H3,(H,32,33,34)
  • InChiKey: WWEAFGZFTIFKMS-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
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.2177 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.067 0.067
Schistosoma mansoni hypothetical protein 0.0016 0.0124 0.0124
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0014 0 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.1905 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1523 0.1523
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.067 0.067
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0124 0.0124
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0124 0.0124
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0014 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0014 0 0.5
Leishmania major cytochrome p450-like protein 0.0023 0.067 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.2177 0.2246
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0014 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0014 0 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.0124 0.0124
Mycobacterium leprae Conserved hypothetical protein 0.0014 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0023 0.067 0.067
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2729 0.2729
Schistosoma mansoni hypothetical protein 0.0016 0.0124 0.0124
Onchocerca volvulus 0.0096 0.622 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0124 0.0124
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0124 0.0128
Schistosoma mansoni hypothetical protein 0.0034 0.1523 0.1523
Loa Loa (eye worm) hypothetical protein 0.009 0.578 0.578
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0014 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.067 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.2177 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.2918 0.2918
Brugia malayi Cytochrome P450 family protein 0.0053 0.2918 0.2918
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0124 0.0128
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0014 0 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.1905 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.067 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.2729 0.2729
Brugia malayi Protein-tyrosine phosphatase 0.0103 0.6765 0.6765
Loa Loa (eye worm) hypothetical protein 0.0097 0.6324 0.6324
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.2177 0.5
Loa Loa (eye worm) CYP4Cod1 0.0023 0.067 0.067
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2729 0.2729
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0014 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.578 0.578
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0014 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0124 0.0124
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.2177 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0124 0.0124
Trypanosoma brucei cytochrome P450, putative 0.0023 0.067 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0016 0.0124 0.0124
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2729 0.2729
Echinococcus granulosus GPCR family 2 0.0016 0.0124 0.0128
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0014 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0014 0 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.1905 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.9689 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.578 0.578
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0014 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0016 0.0124 0.0124
Brugia malayi Cytochrome P450 family protein 0.0023 0.067 0.067
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0014 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0014 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0014 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0014 0 0.5
Loa Loa (eye worm) acetyltransferase 0.0146 1 1
Mycobacterium leprae putative cytochrome p450 0.0014 0 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.2177 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.067 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.1523 0.1523

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.

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