Detailed information for compound 1842977

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.375 | Formula: C21H16N4O6
  • H donors: 3 H acceptors: 7 LogP: 2.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1cc(C(=O)Nc2ccccc2[N+](=O)[O-])c(=O)c2c1c1cccnc1c(c2)O
  • InChi: 1S/C21H16N4O6/c26-9-8-24-11-14(21(29)23-15-5-1-2-6-16(15)25(30)31)20(28)13-10-17(27)18-12(19(13)24)4-3-7-22-18/h1-7,10-11,26-27H,8-9H2,(H,23,29)
  • InChiKey: UVFGOIBGKCRGCS-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
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0025 0.0215
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0005 0.0012 0.0621
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0005 0.0012 0.01
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0208 0.1147 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0174 1
Leishmania major protein kinase A regulatory subunit, putative 0.0005 0.0012 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0025 0.0188
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0005 0.0012 0.0477
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0025 0.0025
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.0005 0.0012 0.0477
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0005 0.0012 0.0071
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0025 0.0188
Trypanosoma cruzi cAMP response protein 1 0.0005 0.0012 0.5
Mycobacterium ulcerans hypothetical protein 0.0005 0.0012 0.5
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0005 0.0012 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0007 0.0025 0.0215
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0005 0.0012 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0005 0.0012 0.5
Trypanosoma cruzi cAMP response protein 1, putative 0.0005 0.0012 0.5
Leishmania major regulatory subunit of protein kinase a-like protein 0.0005 0.0012 0.5
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0005 0.0012 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0007 0.0025 0.0215
Mycobacterium leprae Conserved hypothetical protein 0.0005 0.0012 1
Leishmania major hypothetical protein, unknown function 0.0005 0.0012 0.5
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.0005 0.0012 0.5
Trypanosoma cruzi cAMP binding protein, putative 0.0005 0.0012 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.0012 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0005 0.0012 0.0071
Leishmania major hypothetical protein, conserved 0.0005 0.0012 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0005 0.0012 0.0477
Brugia malayi N-terminal motif family protein 0.0005 0.0012 0.0621
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0007 0.0025 0.0215
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0044 0.0351
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0005 0.0012 0.0071
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0007 0.0025 0.0215
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0005 0.0012 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0188 0.1614
Treponema pallidum catabolite gene activator (Crp) 0.0005 0.0012 0.5
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0005 0.0012 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0005 0.0012 0.0071
Trypanosoma brucei cAMP binding protein, putative 0.0005 0.0012 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0188 0.1617
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0044 0.2324
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0005 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0044
Leishmania major hypothetical protein, conserved 0.0005 0.0012 0.5
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0005 0.0012 0.01
Mycobacterium tuberculosis Conserved hypothetical protein 0.0005 0.0012 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0188 0.0188
Mycobacterium ulcerans hypothetical protein 0.0005 0.0012 0.5
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0005 0.0012 0.0071
Trypanosoma cruzi protein kinase A regulatory subunit 0.0005 0.0012 0.5
Schistosoma mansoni 60S ribosomal protein L21 0.0006 0.0017 0.0117
Echinococcus granulosus cGMP dependent protein kinase 0.0005 0.0012 0.01
Trypanosoma cruzi cyclic nucleotide-binding domain containing protein, putative 0.0005 0.0012 0.5
Echinococcus granulosus single minded 2 0.0003 0.0003 0.003
Schistosoma mansoni hypothetical protein 0.0005 0.0012 0.0071
Echinococcus granulosus patatin phospholipase domain containing protein 0.0005 0.0012 0.01
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0206 0.1773
Mycobacterium tuberculosis Conserved protein 0.0005 0.0012 0.5
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0005 0.0012 0.0621
Echinococcus granulosus cGMP dependent protein kinase 1 0.0005 0.0012 0.01
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0044 0.0351
Leishmania major hypothetical protein, conserved 0.0005 0.0012 0.5
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0005 0.0012 0.5
Brugia malayi Cyclic-nucleotide gated cation channel 0.0007 0.0025 0.1332
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0005 0.0012 0.0071
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0005 0.0012 0.01
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0005 0.0012 0.0071
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0025 0.0188
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0005 0.0012 0.5
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0005 0.0012 0.01
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0005 0.0012 0.01
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0025 0.0188
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0005 0.0012 0.01
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0005 0.0012 0.0071
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0188 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0005 0.0012 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0044 0.0375
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0025 0.0215
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0005 0.0012 0.0071
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0005 0.0012 0.0071
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0025 0.0215
Leishmania major protein kinase, putative 0.0005 0.0012 0.5
Treponema pallidum cyclic nucleotide binding protein 0.0005 0.0012 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0005 0.0012 0.01
Loa Loa (eye worm) HMP-2 protein 0.0032 0.0165 0.0165
Schistosoma mansoni beta-catenin 0.0032 0.0165 0.1409
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0206 0.1773
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0044 0.0375
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0005 0.0012 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0005 0.0012 0.01
Loa Loa (eye worm) AGC/PKG protein kinase 0.0005 0.0012 0.0012
Echinococcus multilocularis expressed conserved protein 0.0005 0.0012 0.01
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0025 0.0025
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0025 0.0215
Echinococcus multilocularis transient receptor potential cation channel 0.0211 0.1162 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0007 0.0025 0.0215
Toxoplasma gondii hypothetical protein 0.1792 1 1
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0005 0.0012 0.5
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0025 0.0215
Loa Loa (eye worm) hypothetical protein 0.0031 0.0161 0.0161
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0044 0.0376
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0005 0.0012 0.01
Leishmania major protein kinase, putative 0.0005 0.0012 0.5
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.0005 0.0012 0.0477
Echinococcus granulosus cGMP dependent protein kinase 1 0.0005 0.0012 0.01
Trypanosoma brucei Flagellar Member 6 0.0005 0.0012 1
Loa Loa (eye worm) hypothetical protein 0.1792 1 1
Echinococcus multilocularis ankyrin repeat protein 0.0208 0.1147 0.987
Loa Loa (eye worm) hypothetical protein 0.1792 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0174 1
Trypanosoma brucei cAMP response protein 1, putative 0.0005 0.0012 1
Echinococcus granulosus ankyrin repeat protein 0.0208 0.1147 0.9885
Treponema pallidum catabolite gene activator 0.0005 0.0012 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0005 0.0012 0.0071
Brugia malayi Egg laying defective protein 4 0.0005 0.0012 0.0621
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0005 0.0012 0.0071
Loa Loa (eye worm) hypothetical protein 0.0005 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0005 0.0012 0.0012
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0025 0.0188
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0005 0.0012 0.0071
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0005 0.0012 1
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0005 0.0012 0.01
Plasmodium falciparum cGMP-dependent protein kinase 0.0005 0.0012 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0044 0.0376
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0005 0.0012 0.0621
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0005 0.0012 0.0012
Trypanosoma brucei protein kinase A regulatory subunit 0.0005 0.0012 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0025 0.0215
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0007 0.0025 0.1258
Echinococcus multilocularis beta catenin 0.0032 0.0165 0.1416
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0005 0.0012 0.01
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0007 0.0025 0.1258
Brugia malayi Armadillo/beta-catenin-like repeat family protein 0.0032 0.0165 0.8773
Mycobacterium ulcerans transcriptional regulatory protein 0.0005 0.0012 0.5
Mycobacterium ulcerans transmembrane transport protein 0.0005 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.0025 0.0025
Onchocerca volvulus Cirhin homolog 0.0032 0.0163 1
Echinococcus granulosus beta catenin 0.0032 0.0165 0.1418
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0005 0.0012 0.01
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0025 0.0188
Mycobacterium ulcerans regulatory protein 0.0005 0.0012 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.1792 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0012 0.0477
Trypanosoma cruzi Flagellar Member 6 0.0005 0.0012 0.5
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0003 0.0003 0.0186
Echinococcus granulosus transient receptor potential cation channel 0.021 0.1161 1
Treponema pallidum cyclic nucleotide binding protein 0.0005 0.0012 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0005 0.0012 0.0071
Schistosoma mansoni voltage-gated potassium channel 0.0006 0.0017 0.0117
Mycobacterium ulcerans hypothetical protein 0.0005 0.0012 0.5
Leishmania major cyclic nucleotide-binding protein-like protein 0.0005 0.0012 0.5
Mycobacterium ulcerans hypothetical protein 0.0005 0.0012 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0005 0.0012 0.0071

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 4 mm Antifungal activity against Candida albicans at 100 ug/ml by cup-plate method ChEMBL. No reference
IZ (functional) = 9 mm Antibacterial activity against Escherichia coli at 100 ug/ml by cup-plate method ChEMBL. No reference
Ratio (functional) = 0.44 Ratio of compound IZ to amphotericin B IZ for Candida albicans ChEMBL. No reference
Ratio (functional) = 0.6 Ratio of compound IZ to ciprofloxacin IZ for Escherichia coli ChEMBL. No reference

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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