Detailed information for compound 1074769

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.365 | Formula: C21H14FN5O4
  • H donors: 2 H acceptors: 6 LogP: 3.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cn1)c1nc2c(n1O)cc(cc2)[N+](=O)[O-])/C=C/c1ccc(cc1)F
  • InChi: 1S/C21H14FN5O4/c22-15-5-1-13(2-6-15)3-10-20(28)25-19-9-4-14(12-23-19)21-24-17-8-7-16(27(30)31)11-18(17)26(21)29/h1-12,29H,(H,23,25,28)/b10-3+
  • InChiKey: SLTMOEWUTHCFKC-XCVCLJGOSA-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 cruzi polo-like protein kinase, putative 0.0105 0.3678 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.1621 1
Schistosoma mansoni inositol monophosphatase 0.004 0.0974 0.2575
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.1621 0.4351
Brugia malayi Cytochrome P450 family protein 0.0024 0.0328 0.0377
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.2837 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.08 0.4612
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0037 0.0042
Schistosoma mansoni ferritin 0.0019 0.0096 0.0164
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.4831 0.5552
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.2837 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.2837 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0655 0.1697
Brugia malayi Pre-SET motif family protein 0.0225 0.8702 1
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.3678 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0974 0.3203
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.2837 0.7691
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.4831 0.5552
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.2837 0.7691
Echinococcus multilocularis lamin 0.0031 0.0601 0.1549
Echinococcus multilocularis lamin dm0 0.0031 0.0601 0.1549
Loa Loa (eye worm) hypothetical protein 0.0017 0.0037 0.0042
Schistosoma mansoni apoferritin-2 0.0019 0.0096 0.0164
Brugia malayi intermediate filament protein 0.0031 0.0601 0.069
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0037 0.0042
Echinococcus granulosus lamin 0.0031 0.0601 0.1549
Echinococcus multilocularis ferritin 0.0019 0.0096 0.0164
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.2837 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0055 0.1621 0.5562
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0655 0.1697
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0974 0.1949
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1614 0.1854
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0605 0.156
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.3678 0.3616
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.2837 1
Echinococcus granulosus intermediate filament protein 0.0031 0.0601 0.1549
Loa Loa (eye worm) hypothetical protein 0.0038 0.0884 0.1016
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0884 0.1016
Plasmodium vivax SET domain protein, putative 0.0032 0.0655 0.0568
Schistosoma mansoni ferritin 0.0019 0.0096 0.0164
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.2837 0.7691
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0655 0.0568
Trypanosoma cruzi polo-like protein kinase, putative 0.0105 0.3678 1
Echinococcus multilocularis expressed protein 0.0019 0.0096 0.0164
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0974 0.0886
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.2837 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0601 0.1549
Onchocerca volvulus Serine\/threonine kinase homolog 0.0105 0.3678 0.3274
Schistosoma mansoni inositol monophosphatase 0.004 0.0974 0.2575
Echinococcus granulosus lamin dm0 0.0031 0.0601 0.1549
Giardia lamblia Kinase, PLK 0.0105 0.3678 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.3678 0.3616
Schistosoma mansoni lamin 0.0031 0.0601 0.1549
Schistosoma mansoni apoferritin-2 0.0019 0.0096 0.0164
Brugia malayi serine/threonine-protein kinase plk-2 0.0105 0.3678 0.4226
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0655 0.1697
Schistosoma mansoni ferritin light chain 0.0019 0.0096 0.0164
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.2837 1
Echinococcus multilocularis musashi 0.0031 0.0601 0.1549
Echinococcus granulosus expressed protein 0.0019 0.0096 0.0164
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.2837 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0655 0.1697
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0105 0.3678 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.08 0.2566
Loa Loa (eye worm) hypothetical protein 0.0031 0.0601 0.069
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0601 0.069
Trypanosoma brucei polo-like protein kinase 0.0105 0.3678 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0974 0.3203
Loa Loa (eye worm) hypothetical protein 0.0084 0.2837 0.326
Brugia malayi MH2 domain containing protein 0.0132 0.4831 0.5552
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.3678 0.3616
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.3678 0.3616
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0105 0.3678 0.4226
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0974 0.2575
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.1621 0.4351
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0105 0.3678 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1614 0.1854
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.1621 1
Schistosoma mansoni lamin 0.0031 0.0601 0.1549
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.3678 0.3616
Schistosoma mansoni kinase 0.0053 0.1528 0.4096
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0328 0.0377
Loa Loa (eye worm) hypothetical protein 0.0055 0.1614 0.1854
Brugia malayi Pre-SET motif family protein 0.0032 0.0655 0.0752
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0037 0.0042
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.3678 0.3616
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.2837 0.5
Schistosoma mansoni ferritin 0.0019 0.0096 0.0164
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0655 0.1697
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1614 0.1854
Loa Loa (eye worm) inositol-1 0.004 0.0974 0.112
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0029 0.0523 0.1557
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.1471 0.1388
Brugia malayi Probable ClpP-like protease 0.0084 0.2837 0.326
Schistosoma mansoni ferritin 0.0019 0.0096 0.0164
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.2837 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.8702 1
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0974 0.2575
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0523 0.1557
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.3678 0.3616
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0974 0.0886
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0601 0.069
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0655 0.1697
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.2837 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0577 0.0663
Brugia malayi Inositol-1 0.004 0.0974 0.112
Entamoeba histolytica serine/threonine protein kinase, putative 0.0105 0.3678 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0655 0.0752
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.1471 0.1388
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0105 0.3678 1
Onchocerca volvulus 0.0032 0.0655 0.0057
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0601 0.069
Schistosoma mansoni hypothetical protein 0.0038 0.0884 0.2326
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0655 0.1697
Schistosoma mansoni ferritin light chain 0.0019 0.0096 0.0164
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0974 0.0886
Echinococcus granulosus ferritin 0.0019 0.0096 0.0164

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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