Detailed information for compound 1489814

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 468.569 | Formula: C24H28N4O4S
  • H donors: 1 H acceptors: 2 LogP: 2.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2)N1CCC2=C(C1)/C(=N/OC)/CCS2)N
  • InChi: 1S/C24H28N4O4S/c1-3-32-24(30)17-13-28(14-4-5-14)20-11-21(18(25)10-15(20)23(17)29)27-8-6-22-16(12-27)19(26-31-2)7-9-33-22/h10-11,13-14H,3-9,12,25H2,1-2H3/b26-19+
  • InChiKey: FAWYMBBAUKTELV-LGUFXXKBSA-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
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0377 0.0432
Echinococcus multilocularis cpg binding protein 0.003 0.09 0.1007
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0862 0.2974
Echinococcus multilocularis geminin 0.0194 0.8278 0.9306
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1918 0.2152
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0138 0.015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.2129 0.239
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0905 0.0866
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0377 0.0419
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0862 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0862 1
Echinococcus multilocularis lamin 0.0026 0.0751 0.0839
Loa Loa (eye worm) hypothetical protein 0.003 0.0905 0.1013
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.1416 0.1587
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.2129 0.2437
Loa Loa (eye worm) hypothetical protein 0.0026 0.0729 0.0815
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1918 0.2152
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.2005 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1318 0.1509
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0905 0.0866
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0379 0.042
Brugia malayi hypothetical protein 0.0041 0.1416 0.1621
Trichomonas vaginalis set domain proteins, putative 0.0232 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0116 0.0125
Brugia malayi isocitrate dehydrogenase 0.0018 0.0379 0.0433
Echinococcus granulosus small conductance calcium activated potassium 0.0207 0.8895 1
Echinococcus granulosus lamin 0.0026 0.0751 0.0839
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0862 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0862 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0379 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.1318 0.1477
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0905 0.0866
Loa Loa (eye worm) hypothetical protein 0.0012 0.0116 0.0125
Leishmania major hypothetical protein, conserved 0.0029 0.0862 1
Schistosoma mansoni calcium-activated potassium channel 0.0134 0.5585 0.6217
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1918 0.2152
Loa Loa (eye worm) hypothetical protein 0.0071 0.2739 0.3075
Echinococcus multilocularis GPCR, family 2 0.0018 0.0377 0.0419
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0379 0.042
Schistosoma mansoni hypothetical protein 0.0041 0.1416 0.145
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0377 0.0419
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0862 0.9182
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0751 0.086
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0148 0.016
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0862 1
Entamoeba histolytica hypothetical protein 0.0041 0.1416 0.5
Schistosoma mansoni intermediate filament proteins 0.0026 0.0751 0.069
Echinococcus granulosus GPCR family 2 0.0018 0.0377 0.0419
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0148 0.016
Echinococcus granulosus geminin 0.0194 0.8278 0.9306
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0379 0.042
Echinococcus granulosus lamin dm0 0.0026 0.0751 0.0839
Schistosoma mansoni hypothetical protein 0.0018 0.0377 0.0263
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.1918 0.2152
Schistosoma mansoni lamin 0.0026 0.0751 0.069
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0201 0.023
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0379 0.0433
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0379 0.042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0905 0.0866
Loa Loa (eye worm) hypothetical protein 0.0026 0.0751 0.0839
Schistosoma mansoni hypothetical protein 0.0039 0.1318 0.1338
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.083 0.0928
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.1416 0.145
Brugia malayi hypothetical protein 0.0029 0.0862 0.0987
Schistosoma mansoni hypothetical protein 0.0018 0.0377 0.0263
Echinococcus multilocularis small conductance calcium activated potassium 0.0207 0.8895 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0379 0.042
Entamoeba histolytica hypothetical protein 0.0041 0.1416 0.5
Onchocerca volvulus 0.003 0.0905 0.0167
Echinococcus multilocularis musashi 0.0026 0.0751 0.0839
Echinococcus granulosus intermediate filament protein 0.0026 0.0751 0.0839
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1918 0.2024
Entamoeba histolytica hypothetical protein 0.0041 0.1416 0.5
Loa Loa (eye worm) hypothetical protein 0.0207 0.8895 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0379 0.042
Schistosoma mansoni cpg binding protein 0.003 0.09 0.086
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0751 0.0839
Onchocerca volvulus 0.0028 0.0828 0.0083
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0905 0.1013
Schistosoma mansoni lamin 0.0026 0.0751 0.069
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.1918 0.2195
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0201 0.0221
Brugia malayi CXXC zinc finger family protein 0.0028 0.0828 0.0948
Schistosoma mansoni calcium-activated potassium channel 0.0207 0.8895 1
Schistosoma mansoni cpg binding protein 0.003 0.09 0.086
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.8737 0.9823
Schistosoma mansoni hypothetical protein 0.0207 0.8895 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0862 0.0964
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0379 0.0264
Loa Loa (eye worm) hypothetical protein 0.0063 0.2413 0.2709
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1918 0.2152
Loa Loa (eye worm) hypothetical protein 0.0013 0.0138 0.015
Loa Loa (eye worm) hypothetical protein 0.0067 0.2567 0.2882
Schistosoma mansoni hypothetical protein 0.0194 0.8278 0.9295
Schistosoma mansoni hypothetical protein 0.0018 0.0377 0.0263
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0905 0.1013
Loa Loa (eye worm) hypothetical protein 0.0018 0.0377 0.0419
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0377 0.0432
Echinococcus granulosus cpg binding protein 0.003 0.09 0.1007
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0379 0.042
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.2291 0.245
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0905 0.3239
Brugia malayi Pre-SET motif family protein 0.0204 0.8737 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0377 0.0419
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1918 0.2024
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0905 0.1013
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0138 0.015
Schistosoma mansoni cpg binding protein 0.0028 0.0828 0.0778
Brugia malayi Pre-SET motif family protein 0.003 0.0905 0.1036
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0751 0.0839
Entamoeba histolytica hypothetical protein 0.0041 0.1416 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0377 0.0419
Plasmodium vivax SET domain protein, putative 0.003 0.0905 1
Echinococcus multilocularis lamin dm0 0.0026 0.0751 0.0839
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.2129 0.2437
Brugia malayi hypothetical protein 0.0019 0.0403 0.0461
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0828 0.0926
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.1416 0.1587
Brugia malayi intermediate filament protein 0.0026 0.0751 0.086
Schistosoma mansoni hypothetical protein 0.0018 0.0377 0.0263
Loa Loa (eye worm) hypothetical protein 0.0057 0.2129 0.239
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0377 0.0419
Schistosoma mansoni hypothetical protein 0.0194 0.8278 0.9295
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1918 0.2024

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 74.5 % Inhibition of NorA in Staphylococcus aureus 1199B assessed as reduction in ethidium bromide efflux at 50 uM by fluorimetry after 5 mins ChEMBL. 21141825

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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